4-anilinobutanamide

C10H14N2O — CID 67066705

IUPAC4-anilinobutanamide
SMILESNC(=O)CCCNc1ccccc1
InChIInChI=1S/C10H14N2O/c11-10(13)7-4-8-12-9-5-2-1-3-6-9/h1-3,5-6,12H,4,7-8H2,(H2,11,13)
InChIKeyPRFLECRLXWVWDM-UHFFFAOYSA-N
MW178.24 g/mol
LogP1.36
Rot. Bonds5

About 4-anilinobutanamide

4-anilinobutanamide (PubChem CID 67066705) has the molecular formula C10H14N2O and a molecular weight of 178.24 g/mol. Its IUPAC name is 4-anilinobutanamide.

Molecular Properties

Compound Name4-anilinobutanamide
PubChem CID67066705
Molecular FormulaC10H14N2O
Molecular Weight178.24 g/mol
Exact Mass178.11
IUPAC Name4-anilinobutanamide
SMILESNC(=O)CCCNc1ccccc1
InChIInChI=1S/C10H14N2O/c11-10(13)7-4-8-12-9-5-2-1-3-6-9/h1-3,5-6,12H,4,7-8H2,(H2,11,13)
InChIKeyPRFLECRLXWVWDM-UHFFFAOYSA-N
XLogP1.36
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500178.24
LogP ≤ 51.36
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

5-anilinopentanoic acid
CID 28972030
4-(3-chloroanilino)butanamide
CID 67066977
1-anilinooctan-4-one
CID 10680405
2-(3-anilinopropylsulfonyl)acetamide
CID 114231941
N,N'-diphenylpropane-1,3-diamine;hydrochloride
CID 68721632
N-(3-trihydroxysilylpropyl)aniline
CID 140901816
2-(2-methoxyethoxy)ethyl 4-anilinobutanoate
CID 104563449
4-[(2-aminoquinazolin-4-yl)amino]butanamide
CID 80790515
4-(3-phenoxypropylamino)benzamide
CID 60678988
4-[4-(dimethylsulfamoyl)anilino]butanamide
CID 60863966
3-anilinopropan-1-ol;phosphoric acid
CID 66984453
4-[(2-hydroxy-2,2-diphenylacetyl)amino]butanamide
CID 110890234

Frequently Asked Questions

What is the IUPAC name of 4-anilinobutanamide?
The IUPAC name of 4-anilinobutanamide (CID 67066705) is 4-anilinobutanamide.
What is the SMILES notation for 4-anilinobutanamide?
The canonical SMILES for 4-anilinobutanamide is NC(=O)CCCNc1ccccc1.
What is the InChIKey of 4-anilinobutanamide?
The InChIKey is PRFLECRLXWVWDM-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14N2O/c11-10(13)7-4-8-12-9-5-2-1-3-6-9/h1-3,5-6,12H,4,7-8H2,(H2,11,13).
What are the key properties of 4-anilinobutanamide?
4-anilinobutanamide has a molecular weight of 178.24 g/mol, XLogP of 1.36, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-anilinobutanamide is sourced from PubChem (CID 67066705), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).