N-[(1S)-1-(azepan-3-yl)-3-phenylpropyl]-N-(2-phenylethyl)propanamide

C26H36N2O — CID 70110339

IUPACN-[(1S)-1-(azepan-3-yl)-3-phenylpropyl]-N-(2-phenylethyl)propanamide
SMILESCCC(=O)N(CCc1ccccc1)[C@@H](CCc1ccccc1)C1CCCCNC1
InChIInChI=1S/C26H36N2O/c1-2-26(29)28(20-18-23-13-7-4-8-14-23)25(24-15-9-10-19-27-21-24)17-16-22-11-5-3-6-12-22/h3-8,11-14,24-25,27H,2,9-10,15-21H2,1H3/t24?,25-/m0/s1
InChIKeyKLUVXJOHMRKBOX-BBMPLOMVSA-N
MW392.59 g/mol
LogP4.86
Rot. Bonds9

About N-[(1S)-1-(azepan-3-yl)-3-phenylpropyl]-N-(2-phenylethyl)propanamide

N-[(1S)-1-(azepan-3-yl)-3-phenylpropyl]-N-(2-phenylethyl)propanamide (PubChem CID 70110339) has the molecular formula C26H36N2O and a molecular weight of 392.59 g/mol. Its IUPAC name is N-[(1S)-1-(azepan-3-yl)-3-phenylpropyl]-N-(2-phenylethyl)propanamide.

Molecular Properties

Compound NameN-[(1S)-1-(azepan-3-yl)-3-phenylpropyl]-N-(2-phenylethyl)propanamide
PubChem CID70110339
Molecular FormulaC26H36N2O
Molecular Weight392.59 g/mol
Exact Mass392.28
IUPAC NameN-[(1S)-1-(azepan-3-yl)-3-phenylpropyl]-N-(2-phenylethyl)propanamide
SMILESCCC(=O)N(CCc1ccccc1)[C@@H](CCc1ccccc1)C1CCCCNC1
InChIInChI=1S/C26H36N2O/c1-2-26(29)28(20-18-23-13-7-4-8-14-23)25(24-15-9-10-19-27-21-24)17-16-22-11-5-3-6-12-22/h3-8,11-14,24-25,27H,2,9-10,15-21H2,1H3/t24?,25-/m0/s1
InChIKeyKLUVXJOHMRKBOX-BBMPLOMVSA-N
XLogP4.86
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.59
LogP ≤ 54.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze N-[(1S)-1-(azepan-3-yl)-3-phenylpropyl]-N-(2-phenylethyl)propanamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(2R)-N-cyclohexyl-2-[2-phenylethyl(propanoyl)amino]propanamide
CID 100521838
N-phenyl-N-(3-phenyl-1-piperidin-3-ylpropyl)furan-2-carboxamide
CID 70109024
(2R)-N-cyclohexyl-2-[(2-phenylacetyl)-(2-phenylethyl)amino]butanamide
CID 100601484
3-(1-fluoro-3-phenylpropyl)piperidine
CID 83855350
N-methyl-N-(2-phenylethyl)-2-piperidin-3-ylacetamide
CID 62674551
(2R)-N-cyclohexyl-2-[2-phenylethyl(3-phenylpropanoyl)amino]propanamide
CID 100517141
N-cyclohexyl-2-[3-naphthalen-1-ylpropanoyl(2-phenylethyl)amino]butanamide
CID 132615507
N-(2-methoxyethyl)-N-(3-phenylpropyl)-3-piperidin-3-ylbutanamide
CID 119756066
2-[[2-(2-chlorophenyl)acetyl]-(2-phenylethyl)amino]-N-cyclopentylpropanamide
CID 132984685
N-[1-(cyclopentylamino)-1-oxopropan-2-yl]-3,3-diphenyl-N-(2-phenylethyl)propanamide
CID 132615250
N-cyclohexyl-N-(2-phenylethyl)-2-[(3S)-pyrrolidin-3-yl]acetamide
CID 99946333
3-phenyl-2-[(3S)-pyrrolidin-3-yl]propanoic acid
CID 166708021

Frequently Asked Questions

What is the IUPAC name of N-[(1S)-1-(azepan-3-yl)-3-phenylpropyl]-N-(2-phenylethyl)propanamide?
The IUPAC name of N-[(1S)-1-(azepan-3-yl)-3-phenylpropyl]-N-(2-phenylethyl)propanamide (CID 70110339) is N-[(1S)-1-(azepan-3-yl)-3-phenylpropyl]-N-(2-phenylethyl)propanamide.
What is the SMILES notation for N-[(1S)-1-(azepan-3-yl)-3-phenylpropyl]-N-(2-phenylethyl)propanamide?
The canonical SMILES for N-[(1S)-1-(azepan-3-yl)-3-phenylpropyl]-N-(2-phenylethyl)propanamide is CCC(=O)N(CCc1ccccc1)[C@@H](CCc1ccccc1)C1CCCCNC1.
What is the InChIKey of N-[(1S)-1-(azepan-3-yl)-3-phenylpropyl]-N-(2-phenylethyl)propanamide?
The InChIKey is KLUVXJOHMRKBOX-BBMPLOMVSA-N. The full InChI is InChI=1S/C26H36N2O/c1-2-26(29)28(20-18-23-13-7-4-8-14-23)25(24-15-9-10-19-27-21-24)17-16-22-11-5-3-6-12-22/h3-8,11-14,24-25,27H,2,9-10,15-21H2,1H3/t24?,25-/m0/s1.
What are the key properties of N-[(1S)-1-(azepan-3-yl)-3-phenylpropyl]-N-(2-phenylethyl)propanamide?
N-[(1S)-1-(azepan-3-yl)-3-phenylpropyl]-N-(2-phenylethyl)propanamide has a molecular weight of 392.59 g/mol, XLogP of 4.86, 9 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1S)-1-(azepan-3-yl)-3-phenylpropyl]-N-(2-phenylethyl)propanamide is sourced from PubChem (CID 70110339), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).