N-[(1S)-3-methyl-1-phenylbutyl]-3,3-diphenylpropanamide

C26H29NO — CID 38003610

IUPACN-[(1S)-3-methyl-1-phenylbutyl]-3,3-diphenylpropanamide
SMILESCC(C)C[C@H](NC(=O)CC(c1ccccc1)c1ccccc1)c1ccccc1
InChIInChI=1S/C26H29NO/c1-20(2)18-25(23-16-10-5-11-17-23)27-26(28)19-24(21-12-6-3-7-13-21)22-14-8-4-9-15-22/h3-17,20,24-25H,18-19H2,1-2H3,(H,27,28)/t25-/m0/s1
InChIKeyKEBKMWJCPFNZJR-VWLOTQADSA-N
MW371.52 g/mol
LogP6.11
Rot. Bonds8

About N-[(1S)-3-methyl-1-phenylbutyl]-3,3-diphenylpropanamide

N-[(1S)-3-methyl-1-phenylbutyl]-3,3-diphenylpropanamide (PubChem CID 38003610) has the molecular formula C26H29NO and a molecular weight of 371.52 g/mol. Its IUPAC name is N-[(1S)-3-methyl-1-phenylbutyl]-3,3-diphenylpropanamide.

Molecular Properties

Compound NameN-[(1S)-3-methyl-1-phenylbutyl]-3,3-diphenylpropanamide
PubChem CID38003610
Molecular FormulaC26H29NO
Molecular Weight371.52 g/mol
Exact Mass371.22
IUPAC NameN-[(1S)-3-methyl-1-phenylbutyl]-3,3-diphenylpropanamide
SMILESCC(C)C[C@H](NC(=O)CC(c1ccccc1)c1ccccc1)c1ccccc1
InChIInChI=1S/C26H29NO/c1-20(2)18-25(23-16-10-5-11-17-23)27-26(28)19-24(21-12-6-3-7-13-21)22-14-8-4-9-15-22/h3-17,20,24-25H,18-19H2,1-2H3,(H,27,28)/t25-/m0/s1
InChIKeyKEBKMWJCPFNZJR-VWLOTQADSA-N
XLogP6.11
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500371.52
LogP ≤ 56.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

4-amino-3-methoxy-N-(3-methyl-1-phenylbutyl)butanamide
CID 103154671
4-hydroxy-N-(3-methyl-1-phenylbutyl)pentanamide
CID 79201139
2-methoxy-N-[(1S)-3-methyl-1-phenylbutyl]acetamide
CID 94870263
N-(3-methyl-1-phenylbutyl)benzamide
CID 46770250
2-(4-chlorophenyl)-N-[(1S)-3-methyl-1-phenylbutyl]acetamide
CID 28567050
2-(4-fluorophenyl)-N-[(1R)-3-methyl-1-phenylbutyl]acetamide
CID 92738396
2-[methyl-[2-[[(1S)-3-methyl-1-phenylbutyl]amino]-2-oxoethyl]amino]-N-propan-2-ylacetamide
CID 8913845
5-bromo-N-(3-methyl-1-phenylbutyl)pentanamide
CID 107908811
(2R)-2-amino-N-(3-methyl-1-phenylbutyl)propanamide
CID 78972266
N-(3-methyl-1-phenylbutyl)-2-phenylmethoxyacetamide
CID 55371721
7-amino-N-(3-methyl-1-phenylbutyl)heptanamide;hydrochloride
CID 119689313
2-[methyl-[2-[[(1R)-3-methyl-1-phenylbutyl]amino]-2-oxoethyl]amino]acetamide
CID 94404650

Frequently Asked Questions

What is the IUPAC name of N-[(1S)-3-methyl-1-phenylbutyl]-3,3-diphenylpropanamide?
The IUPAC name of N-[(1S)-3-methyl-1-phenylbutyl]-3,3-diphenylpropanamide (CID 38003610) is N-[(1S)-3-methyl-1-phenylbutyl]-3,3-diphenylpropanamide.
What is the SMILES notation for N-[(1S)-3-methyl-1-phenylbutyl]-3,3-diphenylpropanamide?
The canonical SMILES for N-[(1S)-3-methyl-1-phenylbutyl]-3,3-diphenylpropanamide is CC(C)C[C@H](NC(=O)CC(c1ccccc1)c1ccccc1)c1ccccc1.
What is the InChIKey of N-[(1S)-3-methyl-1-phenylbutyl]-3,3-diphenylpropanamide?
The InChIKey is KEBKMWJCPFNZJR-VWLOTQADSA-N. The full InChI is InChI=1S/C26H29NO/c1-20(2)18-25(23-16-10-5-11-17-23)27-26(28)19-24(21-12-6-3-7-13-21)22-14-8-4-9-15-22/h3-17,20,24-25H,18-19H2,1-2H3,(H,27,28)/t25-/m0/s1.
What are the key properties of N-[(1S)-3-methyl-1-phenylbutyl]-3,3-diphenylpropanamide?
N-[(1S)-3-methyl-1-phenylbutyl]-3,3-diphenylpropanamide has a molecular weight of 371.52 g/mol, XLogP of 6.11, 8 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1S)-3-methyl-1-phenylbutyl]-3,3-diphenylpropanamide is sourced from PubChem (CID 38003610), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).