N,N'-bis[(1S)-1-phenylethyl]pentadecanediamide

C31H46N2O2 — CID 102132499

IUPACN,N'-bis[(1S)-1-phenylethyl]pentadecanediamide
SMILESC[C@H](NC(=O)CCCCCCCCCCCCCC(=O)N[C@@H](C)c1ccccc1)c1ccccc1
InChIInChI=1S/C31H46N2O2/c1-26(28-20-14-12-15-21-28)32-30(34)24-18-10-8-6-4-3-5-7-9-11-19-25-31(35)33-27(2)29-22-16-13-17-23-29/h12-17,20-23,26-27H,3-11,18-19,24-25H2,1-2H3,(H,32,34)(H,33,35)/t26-,27-/m0/s1
InChIKeyQYRVFGRACVGEOJ-SVBPBHIXSA-N
MW478.72 g/mol
LogP7.81
Rot. Bonds18

About N,N'-bis[(1S)-1-phenylethyl]pentadecanediamide

N,N'-bis[(1S)-1-phenylethyl]pentadecanediamide (PubChem CID 102132499) has the molecular formula C31H46N2O2 and a molecular weight of 478.72 g/mol. Its IUPAC name is N,N'-bis[(1S)-1-phenylethyl]pentadecanediamide.

Molecular Properties

Compound NameN,N'-bis[(1S)-1-phenylethyl]pentadecanediamide
PubChem CID102132499
Molecular FormulaC31H46N2O2
Molecular Weight478.72 g/mol
Exact Mass478.36
IUPAC NameN,N'-bis[(1S)-1-phenylethyl]pentadecanediamide
SMILESC[C@H](NC(=O)CCCCCCCCCCCCCC(=O)N[C@@H](C)c1ccccc1)c1ccccc1
InChIInChI=1S/C31H46N2O2/c1-26(28-20-14-12-15-21-28)32-30(34)24-18-10-8-6-4-3-5-7-9-11-19-25-31(35)33-27(2)29-22-16-13-17-23-29/h12-17,20-23,26-27H,3-11,18-19,24-25H2,1-2H3,(H,32,34)(H,33,35)/t26-,27-/m0/s1
InChIKeyQYRVFGRACVGEOJ-SVBPBHIXSA-N
XLogP7.81
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds18
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500478.72
LogP ≤ 57.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze N,N'-bis[(1S)-1-phenylethyl]pentadecanediamide 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

N-[(1S)-1-phenylethyl]decanamide
CID 98131360
3-amino-N-(1-phenylethyl)propanamide
CID 16784228
(9Z,12E)-N-[(1R)-1-phenylethyl]octadeca-9,12-dienamide
CID 71588891
6-[[2-[4,5-bis[[6-oxo-6-[[(1R)-1-phenylethyl]amino]hexyl]sulfanyl]-1,3-dithiol-2-ylidene]-5-[6-oxo-6-[[(1R)-1-phenylethyl]amino]hexyl]sulfanyl-1,3-dithiol-4-yl]sulfanyl]-N-[(1R)-1-phenylethyl]hexanamide
CID 101492478
(5R)-5-hydroxy-N-[(1S)-1-phenylethyl]decanamide
CID 11543858
2-amino-N-(1-phenylethyl)acetamide
CID 10631169
N-[(1R)-1-phenylethyl]-2-sulfanylacetamide
CID 130013972
N-[(1R)-1-phenylethyl]-2-[[(1R)-1-phenylethyl]amino]acetamide
CID 7046108
2-fluoro-N-(1-phenylethyl)acetamide
CID 10329953
4-diphenylboranyloxy-N-[(1R)-1-phenylethyl]butanamide
CID 102285726
4-phenyl-N-[(1R)-1-phenylethyl]pent-4-enamide
CID 101165236
S-[3-oxo-3-[[(1R)-1-phenylethyl]amino]propyl] ethanethioate
CID 54240548

Frequently Asked Questions

What is the IUPAC name of N,N'-bis[(1S)-1-phenylethyl]pentadecanediamide?
The IUPAC name of N,N'-bis[(1S)-1-phenylethyl]pentadecanediamide (CID 102132499) is N,N'-bis[(1S)-1-phenylethyl]pentadecanediamide.
What is the SMILES notation for N,N'-bis[(1S)-1-phenylethyl]pentadecanediamide?
The canonical SMILES for N,N'-bis[(1S)-1-phenylethyl]pentadecanediamide is C[C@H](NC(=O)CCCCCCCCCCCCCC(=O)N[C@@H](C)c1ccccc1)c1ccccc1.
What is the InChIKey of N,N'-bis[(1S)-1-phenylethyl]pentadecanediamide?
The InChIKey is QYRVFGRACVGEOJ-SVBPBHIXSA-N. The full InChI is InChI=1S/C31H46N2O2/c1-26(28-20-14-12-15-21-28)32-30(34)24-18-10-8-6-4-3-5-7-9-11-19-25-31(35)33-27(2)29-22-16-13-17-23-29/h12-17,20-23,26-27H,3-11,18-19,24-25H2,1-2H3,(H,32,34)(H,33,35)/t26-,27-/m0/s1.
What are the key properties of N,N'-bis[(1S)-1-phenylethyl]pentadecanediamide?
N,N'-bis[(1S)-1-phenylethyl]pentadecanediamide has a molecular weight of 478.72 g/mol, XLogP of 7.81, 18 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N,N'-bis[(1S)-1-phenylethyl]pentadecanediamide is sourced from PubChem (CID 102132499), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).