N-[[4-(2-methylpentoxy)phenyl]methyl]-2-phenylpropanamide

C22H29NO2 — CID 129058692

IUPACN-[[4-(2-methylpentoxy)phenyl]methyl]-2-phenylpropanamide
SMILESCCCC(C)COc1ccc(CNC(=O)C(C)c2ccccc2)cc1
InChIInChI=1S/C22H29NO2/c1-4-8-17(2)16-25-21-13-11-19(12-14-21)15-23-22(24)18(3)20-9-6-5-7-10-20/h5-7,9-14,17-18H,4,8,15-16H2,1-3H3,(H,23,24)
InChIKeyQXIIXTGCBYROAF-UHFFFAOYSA-N
MW339.48 g/mol
LogP4.92
Rot. Bonds9

About N-[[4-(2-methylpentoxy)phenyl]methyl]-2-phenylpropanamide

N-[[4-(2-methylpentoxy)phenyl]methyl]-2-phenylpropanamide (PubChem CID 129058692) has the molecular formula C22H29NO2 and a molecular weight of 339.48 g/mol. Its IUPAC name is N-[[4-(2-methylpentoxy)phenyl]methyl]-2-phenylpropanamide.

Molecular Properties

Compound NameN-[[4-(2-methylpentoxy)phenyl]methyl]-2-phenylpropanamide
PubChem CID129058692
Molecular FormulaC22H29NO2
Molecular Weight339.48 g/mol
Exact Mass339.22
IUPAC NameN-[[4-(2-methylpentoxy)phenyl]methyl]-2-phenylpropanamide
SMILESCCCC(C)COc1ccc(CNC(=O)C(C)c2ccccc2)cc1
InChIInChI=1S/C22H29NO2/c1-4-8-17(2)16-25-21-13-11-19(12-14-21)15-23-22(24)18(3)20-9-6-5-7-10-20/h5-7,9-14,17-18H,4,8,15-16H2,1-3H3,(H,23,24)
InChIKeyQXIIXTGCBYROAF-UHFFFAOYSA-N
XLogP4.92
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.48
LogP ≤ 54.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[(1R)-2-hydroxy-2-methyl-1-[4-(2-methylpentoxy)phenyl]propyl]-2-phenylpropanamide
CID 140569565
N-benzylformamide;methyl 2-[4-(2-methylpentoxy)phenyl]propanoate
CID 169109476
(2S)-2-amino-3-methyl-N-[(2R)-2-[4-(2-methylpentoxy)phenyl]-2-[[(2S)-2-phenylpropanoyl]amino]ethyl]butanamide
CID 51355030
(2S)-2-amino-3-methyl-N-[(2S)-2-[4-(2-methylpentoxy)phenyl]-2-[[(2S)-2-phenylpropanoyl]amino]ethyl]butanamide
CID 67437012
N-benzyl-2-(4-methoxyphenyl)propanamide
CID 102432443
N-[2-(2-aminopropylamino)-1-[4-(2-methylpentoxy)phenyl]ethyl]-2-phenylpropanamide
CID 75631226
(2S)-N-[(R)-(5-methyl-1,3,4-oxadiazol-2-yl)-[4-(2-methylpentoxy)phenyl]methyl]-2-phenylpropanamide
CID 162664171
3-amino-2-methyl-3-phenyl-N-[(4-propoxyphenyl)methyl]propanamide
CID 119714355
tert-butyl N-methyl-N-[2-[[(2R)-2-[4-(2-methylpentoxy)phenyl]-2-[[(2S)-2-phenylpropanoyl]amino]acetyl]amino]ethyl]carbamate
CID 162652578
(2S)-N-[(1R)-1-[4-(2-methylpentoxy)phenyl]-2-[methyl(pyridin-4-yl)amino]ethyl]-2-phenylpropanamide
CID 67436806
2-phenyl-N-[[4-(trifluoromethyl)phenyl]methyl]propanamide
CID 102432449
N-[(2R)-2-[(2-iodo-2-phenylacetyl)amino]-2-[4-(2-methylpentoxy)phenyl]ethyl]propanamide
CID 129058709

Frequently Asked Questions

What is the IUPAC name of N-[[4-(2-methylpentoxy)phenyl]methyl]-2-phenylpropanamide?
The IUPAC name of N-[[4-(2-methylpentoxy)phenyl]methyl]-2-phenylpropanamide (CID 129058692) is N-[[4-(2-methylpentoxy)phenyl]methyl]-2-phenylpropanamide.
What is the SMILES notation for N-[[4-(2-methylpentoxy)phenyl]methyl]-2-phenylpropanamide?
The canonical SMILES for N-[[4-(2-methylpentoxy)phenyl]methyl]-2-phenylpropanamide is CCCC(C)COc1ccc(CNC(=O)C(C)c2ccccc2)cc1.
What is the InChIKey of N-[[4-(2-methylpentoxy)phenyl]methyl]-2-phenylpropanamide?
The InChIKey is QXIIXTGCBYROAF-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H29NO2/c1-4-8-17(2)16-25-21-13-11-19(12-14-21)15-23-22(24)18(3)20-9-6-5-7-10-20/h5-7,9-14,17-18H,4,8,15-16H2,1-3H3,(H,23,24).
What are the key properties of N-[[4-(2-methylpentoxy)phenyl]methyl]-2-phenylpropanamide?
N-[[4-(2-methylpentoxy)phenyl]methyl]-2-phenylpropanamide has a molecular weight of 339.48 g/mol, XLogP of 4.92, 9 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-(2-methylpentoxy)phenyl]methyl]-2-phenylpropanamide is sourced from PubChem (CID 129058692), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).