4-amino-N-(3-anilinopropyl)pentanamide

C14H23N3O — CID 120565112

IUPAC4-amino-N-(3-anilinopropyl)pentanamide
SMILESCC(N)CCC(=O)NCCCNc1ccccc1
InChIInChI=1S/C14H23N3O/c1-12(15)8-9-14(18)17-11-5-10-16-13-6-3-2-4-7-13/h2-4,6-7,12,16H,5,8-11,15H2,1H3,(H,17,18)
InChIKeyWBRITZSBPZNBDI-UHFFFAOYSA-N
MW249.36 g/mol
LogP1.73
Rot. Bonds8

About 4-amino-N-(3-anilinopropyl)pentanamide

4-amino-N-(3-anilinopropyl)pentanamide (PubChem CID 120565112) has the molecular formula C14H23N3O and a molecular weight of 249.36 g/mol. Its IUPAC name is 4-amino-N-(3-anilinopropyl)pentanamide.

Molecular Properties

Compound Name4-amino-N-(3-anilinopropyl)pentanamide
PubChem CID120565112
Molecular FormulaC14H23N3O
Molecular Weight249.36 g/mol
Exact Mass249.18
IUPAC Name4-amino-N-(3-anilinopropyl)pentanamide
SMILESCC(N)CCC(=O)NCCCNc1ccccc1
InChIInChI=1S/C14H23N3O/c1-12(15)8-9-14(18)17-11-5-10-16-13-6-3-2-4-7-13/h2-4,6-7,12,16H,5,8-11,15H2,1H3,(H,17,18)
InChIKeyWBRITZSBPZNBDI-UHFFFAOYSA-N
XLogP1.73
TPSA67.15 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.36
LogP ≤ 51.73
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-(3-anilinopropyl)nonanamide
CID 56586452
4-amino-N-(3-phenoxypropyl)pentanamide;hydrochloride
CID 120559424
3-amino-N-(3-anilinopropyl)-3-phenylpropanamide;dihydrochloride
CID 119953482
N-(3-anilinopropyl)-2-phenylacetamide
CID 102467435
N-[3-(4-aminopentanoylamino)propyl]-3-fluorobenzamide
CID 120562623
4-amino-N-(4-phenylmethoxybutyl)pentanamide;hydrochloride
CID 120561833
4-amino-N-[4-(1,3-dioxoisoindol-2-yl)butyl]pentanamide
CID 120562654
4-amino-N-[3-[(5-methyl-2-pyridinyl)amino]propyl]pentanamide;dihydrochloride
CID 120565647
4-amino-N-[3-(2-fluoro-N-methylanilino)propyl]pentanamide
CID 120564944
N-(3-anilinopropyl)-2-methyl-3-(methylamino)propanamide;dihydrochloride
CID 119867796
4-amino-N-[4-(1,3-dihydroisoindol-2-yl)-4-oxobutyl]pentanamide;hydrochloride
CID 120562655
N-[3-(4-aminopentanoylamino)propyl]thiophene-2-carboxamide;hydrochloride
CID 120561874

Frequently Asked Questions

What is the IUPAC name of 4-amino-N-(3-anilinopropyl)pentanamide?
The IUPAC name of 4-amino-N-(3-anilinopropyl)pentanamide (CID 120565112) is 4-amino-N-(3-anilinopropyl)pentanamide.
What is the SMILES notation for 4-amino-N-(3-anilinopropyl)pentanamide?
The canonical SMILES for 4-amino-N-(3-anilinopropyl)pentanamide is CC(N)CCC(=O)NCCCNc1ccccc1.
What is the InChIKey of 4-amino-N-(3-anilinopropyl)pentanamide?
The InChIKey is WBRITZSBPZNBDI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23N3O/c1-12(15)8-9-14(18)17-11-5-10-16-13-6-3-2-4-7-13/h2-4,6-7,12,16H,5,8-11,15H2,1H3,(H,17,18).
What are the key properties of 4-amino-N-(3-anilinopropyl)pentanamide?
4-amino-N-(3-anilinopropyl)pentanamide has a molecular weight of 249.36 g/mol, XLogP of 1.73, 8 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-N-(3-anilinopropyl)pentanamide is sourced from PubChem (CID 120565112), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).