6-amino-N-benzyl-N-[3-(3,3-diphenylpropylamino)-3-oxopropyl]hexanamide

C31H39N3O2 — CID 4541760

IUPAC6-amino-N-benzyl-N-[3-(3,3-diphenylpropylamino)-3-oxopropyl]hexanamide
SMILESNCCCCCC(=O)N(CCC(=O)NCCC(c1ccccc1)c1ccccc1)Cc1ccccc1
InChIInChI=1S/C31H39N3O2/c32-22-12-4-11-19-31(36)34(25-26-13-5-1-6-14-26)24-21-30(35)33-23-20-29(27-15-7-2-8-16-27)28-17-9-3-10-18-28/h1-3,5-10,13-18,29H,4,11-12,19-25,32H2,(H,33,35)
InChIKeyPIOODVCSRFERJS-UHFFFAOYSA-N
MW485.67 g/mol
LogP5.26
Rot. Bonds15

About 6-amino-N-benzyl-N-[3-(3,3-diphenylpropylamino)-3-oxopropyl]hexanamide

6-amino-N-benzyl-N-[3-(3,3-diphenylpropylamino)-3-oxopropyl]hexanamide (PubChem CID 4541760) has the molecular formula C31H39N3O2 and a molecular weight of 485.67 g/mol. Its IUPAC name is 6-amino-N-benzyl-N-[3-(3,3-diphenylpropylamino)-3-oxopropyl]hexanamide.

Molecular Properties

Compound Name6-amino-N-benzyl-N-[3-(3,3-diphenylpropylamino)-3-oxopropyl]hexanamide
PubChem CID4541760
Molecular FormulaC31H39N3O2
Molecular Weight485.67 g/mol
Exact Mass485.30
IUPAC Name6-amino-N-benzyl-N-[3-(3,3-diphenylpropylamino)-3-oxopropyl]hexanamide
SMILESNCCCCCC(=O)N(CCC(=O)NCCC(c1ccccc1)c1ccccc1)Cc1ccccc1
InChIInChI=1S/C31H39N3O2/c32-22-12-4-11-19-31(36)34(25-26-13-5-1-6-14-26)24-21-30(35)33-23-20-29(27-15-7-2-8-16-27)28-17-9-3-10-18-28/h1-3,5-10,13-18,29H,4,11-12,19-25,32H2,(H,33,35)
InChIKeyPIOODVCSRFERJS-UHFFFAOYSA-N
XLogP5.26
TPSA75.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds15
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500485.67
LogP ≤ 55.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

6-amino-N-[3-(3,3-diphenylpropylamino)-3-oxopropyl]-N-(furan-2-ylmethyl)hexanamide
CID 3361345
3-amino-N-(3,3-diphenylpropyl)propanamide
CID 61260173
3-[benzyl-[(2-methoxyphenyl)carbamoyl]amino]-N-(3,3-diphenylpropyl)propanamide
CID 42699471
N,N'-bis(3-amino-3-oxopropyl)-N,N'-dibenzylhexanediamide
CID 28642999
N-(3-aminopropyl)-N-benzylhexanamide
CID 107366146
6-amino-N-benzyl-N-[3-(4-benzylpiperazin-1-yl)-3-oxopropyl]hexanamide
CID 3932380
4-amino-N-benzyl-N-propylbutanamide
CID 43588666
N-(3,3-diphenylpropyl)-3-[ethylcarbamoyl(propyl)amino]propanamide
CID 42700207
N-[4-[3-aminopropyl(benzyl)amino]-4-oxobutyl]cyclopropanecarboxamide
CID 120649533
N-[4-[3-aminopropyl(benzyl)amino]-4-oxobutyl]-4-fluorobenzamide
CID 120649087
6-amino-N-[2-(N-methylanilino)ethyl]hexanamide
CID 61260836
N-(2-aminoethyl)-N-benzyl-4-methylpentanamide
CID 61014679

Frequently Asked Questions

What is the IUPAC name of 6-amino-N-benzyl-N-[3-(3,3-diphenylpropylamino)-3-oxopropyl]hexanamide?
The IUPAC name of 6-amino-N-benzyl-N-[3-(3,3-diphenylpropylamino)-3-oxopropyl]hexanamide (CID 4541760) is 6-amino-N-benzyl-N-[3-(3,3-diphenylpropylamino)-3-oxopropyl]hexanamide.
What is the SMILES notation for 6-amino-N-benzyl-N-[3-(3,3-diphenylpropylamino)-3-oxopropyl]hexanamide?
The canonical SMILES for 6-amino-N-benzyl-N-[3-(3,3-diphenylpropylamino)-3-oxopropyl]hexanamide is NCCCCCC(=O)N(CCC(=O)NCCC(c1ccccc1)c1ccccc1)Cc1ccccc1.
What is the InChIKey of 6-amino-N-benzyl-N-[3-(3,3-diphenylpropylamino)-3-oxopropyl]hexanamide?
The InChIKey is PIOODVCSRFERJS-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H39N3O2/c32-22-12-4-11-19-31(36)34(25-26-13-5-1-6-14-26)24-21-30(35)33-23-20-29(27-15-7-2-8-16-27)28-17-9-3-10-18-28/h1-3,5-10,13-18,29H,4,11-12,19-25,32H2,(H,33,35).
What are the key properties of 6-amino-N-benzyl-N-[3-(3,3-diphenylpropylamino)-3-oxopropyl]hexanamide?
6-amino-N-benzyl-N-[3-(3,3-diphenylpropylamino)-3-oxopropyl]hexanamide has a molecular weight of 485.67 g/mol, XLogP of 5.26, 15 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-amino-N-benzyl-N-[3-(3,3-diphenylpropylamino)-3-oxopropyl]hexanamide is sourced from PubChem (CID 4541760), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).