N-methyl-2-[2-phenylethyl-[3-(4-propan-2-ylphenyl)propanoyl]amino]propanamide

C24H32N2O2 — CID 132657119

IUPACN-methyl-2-[2-phenylethyl-[3-(4-propan-2-ylphenyl)propanoyl]amino]propanamide
SMILESCNC(=O)C(C)N(CCc1ccccc1)C(=O)CCc1ccc(C(C)C)cc1
InChIInChI=1S/C24H32N2O2/c1-18(2)22-13-10-21(11-14-22)12-15-23(27)26(19(3)24(28)25-4)17-16-20-8-6-5-7-9-20/h5-11,13-14,18-19H,12,15-17H2,1-4H3,(H,25,28)
InChIKeyIIXNTWYWXLYNPK-UHFFFAOYSA-N
MW380.53 g/mol
LogP3.95
Rot. Bonds9

About N-methyl-2-[2-phenylethyl-[3-(4-propan-2-ylphenyl)propanoyl]amino]propanamide

N-methyl-2-[2-phenylethyl-[3-(4-propan-2-ylphenyl)propanoyl]amino]propanamide (PubChem CID 132657119) has the molecular formula C24H32N2O2 and a molecular weight of 380.53 g/mol. Its IUPAC name is N-methyl-2-[2-phenylethyl-[3-(4-propan-2-ylphenyl)propanoyl]amino]propanamide.

Molecular Properties

Compound NameN-methyl-2-[2-phenylethyl-[3-(4-propan-2-ylphenyl)propanoyl]amino]propanamide
PubChem CID132657119
Molecular FormulaC24H32N2O2
Molecular Weight380.53 g/mol
Exact Mass380.25
IUPAC NameN-methyl-2-[2-phenylethyl-[3-(4-propan-2-ylphenyl)propanoyl]amino]propanamide
SMILESCNC(=O)C(C)N(CCc1ccccc1)C(=O)CCc1ccc(C(C)C)cc1
InChIInChI=1S/C24H32N2O2/c1-18(2)22-13-10-21(11-14-22)12-15-23(27)26(19(3)24(28)25-4)17-16-20-8-6-5-7-9-20/h5-11,13-14,18-19H,12,15-17H2,1-4H3,(H,25,28)
InChIKeyIIXNTWYWXLYNPK-UHFFFAOYSA-N
XLogP3.95
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.53
LogP ≤ 53.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(2S)-2-[2-phenylethyl-[3-(4-propan-2-ylphenyl)propanoyl]amino]-N-propan-2-ylpropanamide
CID 100725909
(2R)-2-[(2-fluorophenyl)methyl-[3-(4-propan-2-ylphenyl)propanoyl]amino]-N-methylpropanamide
CID 100631788
2-[[2-(4-chlorophenyl)acetyl]-(2-phenylethyl)amino]-N-methylpropanamide
CID 132654073
(2S)-2-[(4-bromophenyl)methyl-(3-phenylpropanoyl)amino]-N-methylpropanamide
CID 100646101
2-[benzyl-[3-(4-propan-2-ylphenyl)propanoyl]amino]-N-tert-butylpropanamide
CID 132706628
(2R)-N-[(2R)-butan-2-yl]-2-[2-phenylethyl(3-phenylpropanoyl)amino]propanamide
CID 100626772
(2R)-N-cyclohexyl-2-[2-phenylethyl-[3-(4-propan-2-ylphenyl)propanoyl]amino]butanamide
CID 100607646
2-[(3-chlorophenyl)methyl-(3-phenylpropanoyl)amino]-N-methylpropanamide
CID 132761704
2-[3-(4-methylphenyl)propanoyl-(2-phenylethyl)amino]-N-propylpropanamide
CID 132657123
(2R)-N-cyclohexyl-2-[2-phenylethyl(3-phenylpropanoyl)amino]propanamide
CID 100517141
N-[(2S)-1-oxo-1-(propan-2-ylamino)propan-2-yl]-N-(2-phenylethyl)butanamide
CID 100726781
N-[(2R)-1-oxo-1-(propan-2-ylamino)propan-2-yl]-N-(2-phenylethyl)butanamide
CID 100726790

Frequently Asked Questions

What is the IUPAC name of N-methyl-2-[2-phenylethyl-[3-(4-propan-2-ylphenyl)propanoyl]amino]propanamide?
The IUPAC name of N-methyl-2-[2-phenylethyl-[3-(4-propan-2-ylphenyl)propanoyl]amino]propanamide (CID 132657119) is N-methyl-2-[2-phenylethyl-[3-(4-propan-2-ylphenyl)propanoyl]amino]propanamide.
What is the SMILES notation for N-methyl-2-[2-phenylethyl-[3-(4-propan-2-ylphenyl)propanoyl]amino]propanamide?
The canonical SMILES for N-methyl-2-[2-phenylethyl-[3-(4-propan-2-ylphenyl)propanoyl]amino]propanamide is CNC(=O)C(C)N(CCc1ccccc1)C(=O)CCc1ccc(C(C)C)cc1.
What is the InChIKey of N-methyl-2-[2-phenylethyl-[3-(4-propan-2-ylphenyl)propanoyl]amino]propanamide?
The InChIKey is IIXNTWYWXLYNPK-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H32N2O2/c1-18(2)22-13-10-21(11-14-22)12-15-23(27)26(19(3)24(28)25-4)17-16-20-8-6-5-7-9-20/h5-11,13-14,18-19H,12,15-17H2,1-4H3,(H,25,28).
What are the key properties of N-methyl-2-[2-phenylethyl-[3-(4-propan-2-ylphenyl)propanoyl]amino]propanamide?
N-methyl-2-[2-phenylethyl-[3-(4-propan-2-ylphenyl)propanoyl]amino]propanamide has a molecular weight of 380.53 g/mol, XLogP of 3.95, 9 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-2-[2-phenylethyl-[3-(4-propan-2-ylphenyl)propanoyl]amino]propanamide is sourced from PubChem (CID 132657119), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).