N-[1-(2-hydroxyethoxy)-3-(4-methylphenyl)propan-2-yl]-3-phenylpropanamide;N-[1-(2-hydroxypropoxy)-3-(4-methylphenyl)propan-2-yl]-3-phenylpropanamide;N-[1-[2-(2-hydroxypropoxy)propoxy]-3-(4-methylphenyl)propan-2-yl]-3-phenylpropanamide;methane

C69H95N3O10 — CID 161008606

IUPACN-[1-(2-hydroxyethoxy)-3-(4-methylphenyl)propan-2-yl]-3-phenylpropanamide;N-[1-(2-hydroxypropoxy)-3-(4-methylphenyl)propan-2-yl]-3-phenylpropanamide;N-[1-[2-(2-hydroxypropoxy)propoxy]-3-(4-methylphenyl)propan-2-yl]-3-phenylpropanamide;methane
SMILESC.Cc1ccc(CC(COCC(C)O)NC(=O)CCc2ccccc2)cc1.Cc1ccc(CC(COCC(C)OCC(C)O)NC(=O)CCc2ccccc2)cc1.Cc1ccc(CC(COCCO)NC(=O)CCc2ccccc2)cc1
InChIInChI=1S/C25H35NO4.C22H29NO3.C21H27NO3.CH4/c1-19-9-11-23(12-10-19)15-24(18-29-17-21(3)30-16-20(2)27)26-25(28)14-13-22-7-5-4-6-8-22;1-17-8-10-20(11-9-17)14-21(16-26-15-18(2)24)23-22(25)13-12-19-6-4-3-5-7-19;1-17-7-9-19(10-8-17)15-20(16-25-14-13-23)22-21(24)12-11-18-5-3-2-4-6-18;/h4-12,20-21,24,27H,13-18H2,1-3H3,(H,26,28);3-11,18,21,24H,12-16H2,1-2H3,(H,23,25);2-10,20,23H,11-16H2,1H3,(H,22,24);1H4
InChIKeyTWVIPQYZQZCVSA-UHFFFAOYSA-N
MW1126.53 g/mol
LogP9.81
Rot. Bonds33

About N-[1-(2-hydroxyethoxy)-3-(4-methylphenyl)propan-2-yl]-3-phenylpropanamide;N-[1-(2-hydroxypropoxy)-3-(4-methylphenyl)propan-2-yl]-3-phenylpropanamide;N-[1-[2-(2-hydroxypropoxy)propoxy]-3-(4-methylphenyl)propan-2-yl]-3-phenylpropanamide;methane

N-[1-(2-hydroxyethoxy)-3-(4-methylphenyl)propan-2-yl]-3-phenylpropanamide;N-[1-(2-hydroxypropoxy)-3-(4-methylphenyl)propan-2-yl]-3-phenylpropanamide;N-[1-[2-(2-hydroxypropoxy)propoxy]-3-(4-methylphenyl)propan-2-yl]-3-phenylpropanamide;methane (PubChem CID 161008606) has the molecular formula C69H95N3O10 and a molecular weight of 1126.53 g/mol. Its IUPAC name is N-[1-(2-hydroxyethoxy)-3-(4-methylphenyl)propan-2-yl]-3-phenylpropanamide;N-[1-(2-hydroxypropoxy)-3-(4-methylphenyl)propan-2-yl]-3-phenylpropanamide;N-[1-[2-(2-hydroxypropoxy)propoxy]-3-(4-methylphenyl)propan-2-yl]-3-phenylpropanamide;methane.

Molecular Properties

Compound NameN-[1-(2-hydroxyethoxy)-3-(4-methylphenyl)propan-2-yl]-3-phenylpropanamide;N-[1-(2-hydroxypropoxy)-3-(4-methylphenyl)propan-2-yl]-3-phenylpropanamide;N-[1-[2-(2-hydroxypropoxy)propoxy]-3-(4-methylphenyl)propan-2-yl]-3-phenylpropanamide;methane
PubChem CID161008606
Molecular FormulaC69H95N3O10
Molecular Weight1126.53 g/mol
Exact Mass1125.70
IUPAC NameN-[1-(2-hydroxyethoxy)-3-(4-methylphenyl)propan-2-yl]-3-phenylpropanamide;N-[1-(2-hydroxypropoxy)-3-(4-methylphenyl)propan-2-yl]-3-phenylpropanamide;N-[1-[2-(2-hydroxypropoxy)propoxy]-3-(4-methylphenyl)propan-2-yl]-3-phenylpropanamide;methane
SMILESC.Cc1ccc(CC(COCC(C)O)NC(=O)CCc2ccccc2)cc1.Cc1ccc(CC(COCC(C)OCC(C)O)NC(=O)CCc2ccccc2)cc1.Cc1ccc(CC(COCCO)NC(=O)CCc2ccccc2)cc1
InChIInChI=1S/C25H35NO4.C22H29NO3.C21H27NO3.CH4/c1-19-9-11-23(12-10-19)15-24(18-29-17-21(3)30-16-20(2)27)26-25(28)14-13-22-7-5-4-6-8-22;1-17-8-10-20(11-9-17)14-21(16-26-15-18(2)24)23-22(25)13-12-19-6-4-3-5-7-19;1-17-7-9-19(10-8-17)15-20(16-25-14-13-23)22-21(24)12-11-18-5-3-2-4-6-18;/h4-12,20-21,24,27H,13-18H2,1-3H3,(H,26,28);3-11,18,21,24H,12-16H2,1-2H3,(H,23,25);2-10,20,23H,11-16H2,1H3,(H,22,24);1H4
InChIKeyTWVIPQYZQZCVSA-UHFFFAOYSA-N
XLogP9.81
TPSA184.91 Ų
H-Bond Donors6
H-Bond Acceptors10
Rotatable Bonds33
Heavy Atoms82
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001126.53
LogP ≤ 59.81
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 1010

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze N-[1-(2-hydroxyethoxy)-3-(4-methylphenyl)propan-2-yl]-3-phenylpropanamide;N-[1-(2-hydroxypropoxy)-3-(4-methylphenyl)propan-2-yl]-3-phenylpropanamide;N-[1-[2-(2-hydroxypropoxy)propoxy]-3-(4-methylphenyl)propan-2-yl]-3-phenylpropanamide;methane with MolForge

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Related Compounds

N-[(2S)-1-(4-hydroxyphenyl)-3-(2-hydroxypropoxy)propan-2-yl]-3-phenylpropanamide;N-[(2S)-1-(4-methylphenyl)-3-[2-[(4-methylphenyl)methoxy]propoxy]propan-2-yl]-3-phenylpropanamide
CID 160961052
N-[(2R)-1-(4-hydroxyphenyl)-3-[(2S)-2-[(2S)-2-hydroxypropoxy]propoxy]propan-2-yl]-3-phenylpropanamide;N-[(2R)-1-(4-hydroxyphenyl)-3-[(2S)-2-[(2R)-2-hydroxypropoxy]propoxy]propan-2-yl]-3-phenylpropanamide;N-[(2S)-1-(4-hydroxyphenyl)-3-[(2R)-2-(2-hydroxypropoxy)propoxy]propan-2-yl]-3-phenylpropanamide
CID 158849151
3-(4-hydroxyphenyl)-N-[(2S)-1-[2-[2-[2-[2-[2-[2-(2-hydroxypropoxy)propoxy]propoxy]propoxy]propoxy]propoxy]propoxy]-3-phenylpropan-2-yl]propanamide
CID 11468182
N-[1-(4-hydroxyphenyl)-3-(2-hydroxypropoxy)propan-2-yl]-3-phenylpropanamide;sulfane
CID 158309223
N-[(2R)-1-(4-hydroxyphenyl)-3-(1-hydroxypropan-2-yloxy)propan-2-yl]-3-phenylpropanamide;N-[(2S)-1-(4-hydroxyphenyl)-3-(1-hydroxypropan-2-yloxy)propan-2-yl]-3-phenylpropanamide;N-[(2R)-1-(4-hydroxyphenyl)-3-[(2S)-1-hydroxypropan-2-yl]oxypropan-2-yl]-3-phenylpropanamide;N-[(2S)-1-(4-hydroxyphenyl)-3-[(2R)-1-hydroxypropan-2-yl]oxypropan-2-yl]-3-phenylpropanamide
CID 159049169
3-(4-hydroxyphenyl)-N-[1-(2-methylpropoxy)-3-phenylpropan-2-yl]propanamide
CID 58668673
N-(4-hydroxy-1-methoxybutan-2-yl)-3-(4-methylphenyl)propanamide
CID 103799440
2-[3-(4-methylphenyl)propanoylamino]-3-phenylpropanoic acid
CID 119165684
(2R)-2-[3-(4-methylphenyl)propanoylamino]-3-phenylpropanoic acid
CID 119367532
3-(4-methylphenyl)-N-[(R)-(4-methylphenyl)-phenylmethyl]propanamide
CID 28578275
N-(4-amino-1-methoxybutan-2-yl)-3-(4-methylphenyl)propanamide
CID 106152335
3-ethoxy-N-[(2R)-1-hydroxy-3-phenylpropan-2-yl]propanamide
CID 107861315

Frequently Asked Questions

What is the IUPAC name of N-[1-(2-hydroxyethoxy)-3-(4-methylphenyl)propan-2-yl]-3-phenylpropanamide;N-[1-(2-hydroxypropoxy)-3-(4-methylphenyl)propan-2-yl]-3-phenylpropanamide;N-[1-[2-(2-hydroxypropoxy)propoxy]-3-(4-methylphenyl)propan-2-yl]-3-phenylpropanamide;methane?
The IUPAC name of N-[1-(2-hydroxyethoxy)-3-(4-methylphenyl)propan-2-yl]-3-phenylpropanamide;N-[1-(2-hydroxypropoxy)-3-(4-methylphenyl)propan-2-yl]-3-phenylpropanamide;N-[1-[2-(2-hydroxypropoxy)propoxy]-3-(4-methylphenyl)propan-2-yl]-3-phenylpropanamide;methane (CID 161008606) is N-[1-(2-hydroxyethoxy)-3-(4-methylphenyl)propan-2-yl]-3-phenylpropanamide;N-[1-(2-hydroxypropoxy)-3-(4-methylphenyl)propan-2-yl]-3-phenylpropanamide;N-[1-[2-(2-hydroxypropoxy)propoxy]-3-(4-methylphenyl)propan-2-yl]-3-phenylpropanamide;methane.
What is the SMILES notation for N-[1-(2-hydroxyethoxy)-3-(4-methylphenyl)propan-2-yl]-3-phenylpropanamide;N-[1-(2-hydroxypropoxy)-3-(4-methylphenyl)propan-2-yl]-3-phenylpropanamide;N-[1-[2-(2-hydroxypropoxy)propoxy]-3-(4-methylphenyl)propan-2-yl]-3-phenylpropanamide;methane?
The canonical SMILES for N-[1-(2-hydroxyethoxy)-3-(4-methylphenyl)propan-2-yl]-3-phenylpropanamide;N-[1-(2-hydroxypropoxy)-3-(4-methylphenyl)propan-2-yl]-3-phenylpropanamide;N-[1-[2-(2-hydroxypropoxy)propoxy]-3-(4-methylphenyl)propan-2-yl]-3-phenylpropanamide;methane is C.Cc1ccc(CC(COCC(C)O)NC(=O)CCc2ccccc2)cc1.Cc1ccc(CC(COCC(C)OCC(C)O)NC(=O)CCc2ccccc2)cc1.Cc1ccc(CC(COCCO)NC(=O)CCc2ccccc2)cc1.
What is the InChIKey of N-[1-(2-hydroxyethoxy)-3-(4-methylphenyl)propan-2-yl]-3-phenylpropanamide;N-[1-(2-hydroxypropoxy)-3-(4-methylphenyl)propan-2-yl]-3-phenylpropanamide;N-[1-[2-(2-hydroxypropoxy)propoxy]-3-(4-methylphenyl)propan-2-yl]-3-phenylpropanamide;methane?
The InChIKey is TWVIPQYZQZCVSA-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H35NO4.C22H29NO3.C21H27NO3.CH4/c1-19-9-11-23(12-10-19)15-24(18-29-17-21(3)30-16-20(2)27)26-25(28)14-13-22-7-5-4-6-8-22;1-17-8-10-20(11-9-17)14-21(16-26-15-18(2)24)23-22(25)13-12-19-6-4-3-5-7-19;1-17-7-9-19(10-8-17)15-20(16-25-14-13-23)22-21(24)12-11-18-5-3-2-4-6-18;/h4-12,20-21,24,27H,13-18H2,1-3H3,(H,26,28);3-11,18,21,24H,12-16H2,1-2H3,(H,23,25);2-10,20,23H,11-16H2,1H3,(H,22,24);1H4.
What are the key properties of N-[1-(2-hydroxyethoxy)-3-(4-methylphenyl)propan-2-yl]-3-phenylpropanamide;N-[1-(2-hydroxypropoxy)-3-(4-methylphenyl)propan-2-yl]-3-phenylpropanamide;N-[1-[2-(2-hydroxypropoxy)propoxy]-3-(4-methylphenyl)propan-2-yl]-3-phenylpropanamide;methane?
N-[1-(2-hydroxyethoxy)-3-(4-methylphenyl)propan-2-yl]-3-phenylpropanamide;N-[1-(2-hydroxypropoxy)-3-(4-methylphenyl)propan-2-yl]-3-phenylpropanamide;N-[1-[2-(2-hydroxypropoxy)propoxy]-3-(4-methylphenyl)propan-2-yl]-3-phenylpropanamide;methane has a molecular weight of 1126.53 g/mol, XLogP of 9.81, 33 rotatable bonds, 6 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(2-hydroxyethoxy)-3-(4-methylphenyl)propan-2-yl]-3-phenylpropanamide;N-[1-(2-hydroxypropoxy)-3-(4-methylphenyl)propan-2-yl]-3-phenylpropanamide;N-[1-[2-(2-hydroxypropoxy)propoxy]-3-(4-methylphenyl)propan-2-yl]-3-phenylpropanamide;methane is sourced from PubChem (CID 161008606), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).