4-[(2-anilinoacetyl)amino]-N-cyclopropylbutanamide

C15H21N3O2 — CID 79401604

IUPAC4-[(2-anilinoacetyl)amino]-N-cyclopropylbutanamide
SMILESO=C(CNc1ccccc1)NCCCC(=O)NC1CC1
InChIInChI=1S/C15H21N3O2/c19-14(18-13-8-9-13)7-4-10-16-15(20)11-17-12-5-2-1-3-6-12/h1-3,5-6,13,17H,4,7-11H2,(H,16,20)(H,18,19)
InChIKeyXSEWDYKLIQSQNE-UHFFFAOYSA-N
MW275.35 g/mol
LogP1.27
Rot. Bonds8

About 4-[(2-anilinoacetyl)amino]-N-cyclopropylbutanamide

4-[(2-anilinoacetyl)amino]-N-cyclopropylbutanamide (PubChem CID 79401604) has the molecular formula C15H21N3O2 and a molecular weight of 275.35 g/mol. Its IUPAC name is 4-[(2-anilinoacetyl)amino]-N-cyclopropylbutanamide.

Molecular Properties

Compound Name4-[(2-anilinoacetyl)amino]-N-cyclopropylbutanamide
PubChem CID79401604
Molecular FormulaC15H21N3O2
Molecular Weight275.35 g/mol
Exact Mass275.16
IUPAC Name4-[(2-anilinoacetyl)amino]-N-cyclopropylbutanamide
SMILESO=C(CNc1ccccc1)NCCCC(=O)NC1CC1
InChIInChI=1S/C15H21N3O2/c19-14(18-13-8-9-13)7-4-10-16-15(20)11-17-12-5-2-1-3-6-12/h1-3,5-6,13,17H,4,7-11H2,(H,16,20)(H,18,19)
InChIKeyXSEWDYKLIQSQNE-UHFFFAOYSA-N
XLogP1.27
TPSA70.23 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.35
LogP ≤ 51.27
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

2-anilino-N-(3-cyclopropylpropyl)acetamide
CID 113267062
2-anilino-N-(3-hydroxypropyl)acetamide
CID 60861419
methyl 4-[(2-anilinoacetyl)amino]butanoate
CID 60671224
N-cyclopropyl-4-[[2-(methylamino)acetyl]amino]butanamide
CID 79400929
2-anilino-N-(4-ethylcyclohexyl)acetamide
CID 61470089
2-anilino-N-(thian-4-yl)acetamide;hydrochloride
CID 119765688
N-cyclopropyl-N'-phenylbutanediamide
CID 70314355
4-[[2-[(2-aminoacetyl)amino]acetyl]amino]-N-cyclopropylbutanamide
CID 79401001
4-[3-(2-aminophenyl)propanoylamino]-N-cyclopropylbutanamide;hydrochloride
CID 120609190
2-anilino-N-(3-cyanopropyl)acetamide
CID 62666657
N-cyclopropyl-4-[[N'-[(4-methylphenyl)methyl]-N-phenylcarbamimidoyl]amino]butanamide
CID 111066149
N-[4-(cyclopropylamino)-4-oxobutyl]naphthalene-1-carboxamide
CID 84533747

Frequently Asked Questions

What is the IUPAC name of 4-[(2-anilinoacetyl)amino]-N-cyclopropylbutanamide?
The IUPAC name of 4-[(2-anilinoacetyl)amino]-N-cyclopropylbutanamide (CID 79401604) is 4-[(2-anilinoacetyl)amino]-N-cyclopropylbutanamide.
What is the SMILES notation for 4-[(2-anilinoacetyl)amino]-N-cyclopropylbutanamide?
The canonical SMILES for 4-[(2-anilinoacetyl)amino]-N-cyclopropylbutanamide is O=C(CNc1ccccc1)NCCCC(=O)NC1CC1.
What is the InChIKey of 4-[(2-anilinoacetyl)amino]-N-cyclopropylbutanamide?
The InChIKey is XSEWDYKLIQSQNE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N3O2/c19-14(18-13-8-9-13)7-4-10-16-15(20)11-17-12-5-2-1-3-6-12/h1-3,5-6,13,17H,4,7-11H2,(H,16,20)(H,18,19).
What are the key properties of 4-[(2-anilinoacetyl)amino]-N-cyclopropylbutanamide?
4-[(2-anilinoacetyl)amino]-N-cyclopropylbutanamide has a molecular weight of 275.35 g/mol, XLogP of 1.27, 8 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(2-anilinoacetyl)amino]-N-cyclopropylbutanamide is sourced from PubChem (CID 79401604), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).