N-(3-aminophenyl)butanamide

C10H14N2O — CID 721132

IUPACN-(3-aminophenyl)butanamide
SMILESCCCC(=O)Nc1cccc(N)c1
InChIInChI=1S/C10H14N2O/c1-2-4-10(13)12-9-6-3-5-8(11)7-9/h3,5-7H,2,4,11H2,1H3,(H,12,13)
InChIKeyDRXFARCOYOPZDW-UHFFFAOYSA-N
MW178.24 g/mol
LogP2.01
Rot. Bonds3

About N-(3-aminophenyl)butanamide

N-(3-aminophenyl)butanamide (PubChem CID 721132) has the molecular formula C10H14N2O and a molecular weight of 178.24 g/mol. Its IUPAC name is N-(3-aminophenyl)butanamide.

Molecular Properties

Compound NameN-(3-aminophenyl)butanamide
PubChem CID721132
Molecular FormulaC10H14N2O
Molecular Weight178.24 g/mol
Exact Mass178.11
IUPAC NameN-(3-aminophenyl)butanamide
SMILESCCCC(=O)Nc1cccc(N)c1
InChIInChI=1S/C10H14N2O/c1-2-4-10(13)12-9-6-3-5-8(11)7-9/h3,5-7H,2,4,11H2,1H3,(H,12,13)
InChIKeyDRXFARCOYOPZDW-UHFFFAOYSA-N
XLogP2.01
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500178.24
LogP ≤ 52.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-(3-aminophenyl)butanamide?
The IUPAC name of N-(3-aminophenyl)butanamide (CID 721132) is N-(3-aminophenyl)butanamide.
What is the SMILES notation for N-(3-aminophenyl)butanamide?
The canonical SMILES for N-(3-aminophenyl)butanamide is CCCC(=O)Nc1cccc(N)c1.
What is the InChIKey of N-(3-aminophenyl)butanamide?
The InChIKey is DRXFARCOYOPZDW-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14N2O/c1-2-4-10(13)12-9-6-3-5-8(11)7-9/h3,5-7H,2,4,11H2,1H3,(H,12,13).
What are the key properties of N-(3-aminophenyl)butanamide?
N-(3-aminophenyl)butanamide has a molecular weight of 178.24 g/mol, XLogP of 2.01, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-aminophenyl)butanamide is sourced from PubChem (CID 721132), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).