4-[3-(2-aminophenyl)propanoylamino]-N-cyclopropylbutanamide;hydrochloride

C16H24ClN3O2 — CID 120609190

IUPAC4-[3-(2-aminophenyl)propanoylamino]-N-cyclopropylbutanamide;hydrochloride
SMILESCl.Nc1ccccc1CCC(=O)NCCCC(=O)NC1CC1
InChIInChI=1S/C16H23N3O2.ClH/c17-14-5-2-1-4-12(14)7-10-15(20)18-11-3-6-16(21)19-13-8-9-13;/h1-2,4-5,13H,3,6-11,17H2,(H,18,20)(H,19,21);1H
InChIKeySTFBZERQJBXYGO-UHFFFAOYSA-N
MW325.84 g/mol
LogP1.80
Rot. Bonds8

About 4-[3-(2-aminophenyl)propanoylamino]-N-cyclopropylbutanamide;hydrochloride

4-[3-(2-aminophenyl)propanoylamino]-N-cyclopropylbutanamide;hydrochloride (PubChem CID 120609190) has the molecular formula C16H24ClN3O2 and a molecular weight of 325.84 g/mol. Its IUPAC name is 4-[3-(2-aminophenyl)propanoylamino]-N-cyclopropylbutanamide;hydrochloride.

Molecular Properties

Compound Name4-[3-(2-aminophenyl)propanoylamino]-N-cyclopropylbutanamide;hydrochloride
PubChem CID120609190
Molecular FormulaC16H24ClN3O2
Molecular Weight325.84 g/mol
Exact Mass325.16
IUPAC Name4-[3-(2-aminophenyl)propanoylamino]-N-cyclopropylbutanamide;hydrochloride
SMILESCl.Nc1ccccc1CCC(=O)NCCCC(=O)NC1CC1
InChIInChI=1S/C16H23N3O2.ClH/c17-14-5-2-1-4-12(14)7-10-15(20)18-11-3-6-16(21)19-13-8-9-13;/h1-2,4-5,13H,3,6-11,17H2,(H,18,20)(H,19,21);1H
InChIKeySTFBZERQJBXYGO-UHFFFAOYSA-N
XLogP1.80
TPSA84.22 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.84
LogP ≤ 51.80
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

3-(2-aminophenyl)-N-(4-methylcyclohexyl)propanamide;hydrochloride
CID 120610600
3-(2-aminophenyl)-N-(4-propan-2-ylcyclohexyl)propanamide;hydrochloride
CID 120611579
4-[3-(2-aminophenyl)propanoylamino]cyclohexane-1-carboxamide
CID 107272785
3-(2-aminophenyl)-N-[4-(trifluoromethyl)cyclohexyl]propanamide
CID 120608522
N-(3-acetamidopropyl)-3-(2-aminophenyl)propanamide;hydrochloride
CID 120609121
3-(2-aminophenyl)-N-(1-cyclopropylpiperidin-4-yl)propanamide;dihydrochloride
CID 120612227
4-[3-(2-aminophenyl)propanoylamino]-N-cyclopropylbenzamide;hydrochloride
CID 120608448
3-(2-aminophenyl)-N-[3-(4-methylpiperidin-1-yl)propyl]propanamide;dihydrochloride
CID 120612122
3-(2-aminophenyl)-N-(1-phenylpiperidin-4-yl)propanamide
CID 120612685
3-(2-aminophenyl)-N-(4-ethoxybutyl)propanamide;hydrochloride
CID 120609020
3-(2-aminophenyl)-N-(3-phenoxypropyl)propanamide;hydrochloride
CID 120608352
N-(2-acetamidoethyl)-3-(2-aminophenyl)propanamide;hydrochloride
CID 120608123

Frequently Asked Questions

What is the IUPAC name of 4-[3-(2-aminophenyl)propanoylamino]-N-cyclopropylbutanamide;hydrochloride?
The IUPAC name of 4-[3-(2-aminophenyl)propanoylamino]-N-cyclopropylbutanamide;hydrochloride (CID 120609190) is 4-[3-(2-aminophenyl)propanoylamino]-N-cyclopropylbutanamide;hydrochloride.
What is the SMILES notation for 4-[3-(2-aminophenyl)propanoylamino]-N-cyclopropylbutanamide;hydrochloride?
The canonical SMILES for 4-[3-(2-aminophenyl)propanoylamino]-N-cyclopropylbutanamide;hydrochloride is Cl.Nc1ccccc1CCC(=O)NCCCC(=O)NC1CC1.
What is the InChIKey of 4-[3-(2-aminophenyl)propanoylamino]-N-cyclopropylbutanamide;hydrochloride?
The InChIKey is STFBZERQJBXYGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23N3O2.ClH/c17-14-5-2-1-4-12(14)7-10-15(20)18-11-3-6-16(21)19-13-8-9-13;/h1-2,4-5,13H,3,6-11,17H2,(H,18,20)(H,19,21);1H.
What are the key properties of 4-[3-(2-aminophenyl)propanoylamino]-N-cyclopropylbutanamide;hydrochloride?
4-[3-(2-aminophenyl)propanoylamino]-N-cyclopropylbutanamide;hydrochloride has a molecular weight of 325.84 g/mol, XLogP of 1.80, 8 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-(2-aminophenyl)propanoylamino]-N-cyclopropylbutanamide;hydrochloride is sourced from PubChem (CID 120609190), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).