N,N'-bis(3-phenylpropyl)butanediamide

C22H28N2O2 — CID 2931469

IUPACN,N'-bis(3-phenylpropyl)butanediamide
SMILESO=C(CCC(=O)NCCCc1ccccc1)NCCCc1ccccc1
InChIInChI=1S/C22H28N2O2/c25-21(23-17-7-13-19-9-3-1-4-10-19)15-16-22(26)24-18-8-14-20-11-5-2-6-12-20/h1-6,9-12H,7-8,13-18H2,(H,23,25)(H,24,26)
InChIKeyWSBDCQQEFPJAKT-UHFFFAOYSA-N
MW352.48 g/mol
LogP3.26
Rot. Bonds11

About N,N'-bis(3-phenylpropyl)butanediamide

N,N'-bis(3-phenylpropyl)butanediamide (PubChem CID 2931469) has the molecular formula C22H28N2O2 and a molecular weight of 352.48 g/mol. Its IUPAC name is N,N'-bis(3-phenylpropyl)butanediamide.

Molecular Properties

Compound NameN,N'-bis(3-phenylpropyl)butanediamide
PubChem CID2931469
Molecular FormulaC22H28N2O2
Molecular Weight352.48 g/mol
Exact Mass352.22
IUPAC NameN,N'-bis(3-phenylpropyl)butanediamide
SMILESO=C(CCC(=O)NCCCc1ccccc1)NCCCc1ccccc1
InChIInChI=1S/C22H28N2O2/c25-21(23-17-7-13-19-9-3-1-4-10-19)15-16-22(26)24-18-8-14-20-11-5-2-6-12-20/h1-6,9-12H,7-8,13-18H2,(H,23,25)(H,24,26)
InChIKeyWSBDCQQEFPJAKT-UHFFFAOYSA-N
XLogP3.26
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds11
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.48
LogP ≤ 53.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-(2-phenylethyl)acetamide
CID 70143
Santacruzamate A
CID 72946782
N-Phenethyl-3-phenyl-acrylamide
CID 795855
N-Cyclohexyl-2-phenylacetamide
CID 82500
N,N'-Bis(2-phenylethyl)urea
CID 95244
(9Z,12Z,15Z)-N-(2-phenylethyl)octadeca-9,12,15-trienamide
CID 155618148
n,n'-Dibenzylmalonamide
CID 735256
N-cyclohexyl-4-phenylbutanamide
CID 288831
N-(1-Methyl-3-phenylpropyl)acetamide
CID 541808
Bl-1021
CID 24898306
N-(2-Phenylethyl)propanamide
CID 94894
N-phenethyl-2-phenylacetamide
CID 138516

Frequently Asked Questions

What is the IUPAC name of N,N'-bis(3-phenylpropyl)butanediamide?
The IUPAC name of N,N'-bis(3-phenylpropyl)butanediamide (CID 2931469) is N,N'-bis(3-phenylpropyl)butanediamide.
What is the SMILES notation for N,N'-bis(3-phenylpropyl)butanediamide?
The canonical SMILES for N,N'-bis(3-phenylpropyl)butanediamide is O=C(CCC(=O)NCCCc1ccccc1)NCCCc1ccccc1.
What is the InChIKey of N,N'-bis(3-phenylpropyl)butanediamide?
The InChIKey is WSBDCQQEFPJAKT-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H28N2O2/c25-21(23-17-7-13-19-9-3-1-4-10-19)15-16-22(26)24-18-8-14-20-11-5-2-6-12-20/h1-6,9-12H,7-8,13-18H2,(H,23,25)(H,24,26).
What are the key properties of N,N'-bis(3-phenylpropyl)butanediamide?
N,N'-bis(3-phenylpropyl)butanediamide has a molecular weight of 352.48 g/mol, XLogP of 3.26, 11 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N,N'-bis(3-phenylpropyl)butanediamide is sourced from PubChem (CID 2931469), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).