N-[3-(4-aminobutanoylamino)phenyl]cyclopropanecarboxamide;hydrochloride

C14H20ClN3O2 — CID 119282191

IUPACN-[3-(4-aminobutanoylamino)phenyl]cyclopropanecarboxamide;hydrochloride
SMILESCl.NCCCC(=O)Nc1cccc(NC(=O)C2CC2)c1
InChIInChI=1S/C14H19N3O2.ClH/c15-8-2-5-13(18)16-11-3-1-4-12(9-11)17-14(19)10-6-7-10;/h1,3-4,9-10H,2,5-8,15H2,(H,16,18)(H,17,19);1H
InChIKeyRXKMEUIGTHKWSX-UHFFFAOYSA-N
MW297.79 g/mol
LogP2.13
Rot. Bonds6

About N-[3-(4-aminobutanoylamino)phenyl]cyclopropanecarboxamide;hydrochloride

N-[3-(4-aminobutanoylamino)phenyl]cyclopropanecarboxamide;hydrochloride (PubChem CID 119282191) has the molecular formula C14H20ClN3O2 and a molecular weight of 297.79 g/mol. Its IUPAC name is N-[3-(4-aminobutanoylamino)phenyl]cyclopropanecarboxamide;hydrochloride.

Molecular Properties

Compound NameN-[3-(4-aminobutanoylamino)phenyl]cyclopropanecarboxamide;hydrochloride
PubChem CID119282191
Molecular FormulaC14H20ClN3O2
Molecular Weight297.79 g/mol
Exact Mass297.12
IUPAC NameN-[3-(4-aminobutanoylamino)phenyl]cyclopropanecarboxamide;hydrochloride
SMILESCl.NCCCC(=O)Nc1cccc(NC(=O)C2CC2)c1
InChIInChI=1S/C14H19N3O2.ClH/c15-8-2-5-13(18)16-11-3-1-4-12(9-11)17-14(19)10-6-7-10;/h1,3-4,9-10H,2,5-8,15H2,(H,16,18)(H,17,19);1H
InChIKeyRXKMEUIGTHKWSX-UHFFFAOYSA-N
XLogP2.13
TPSA84.22 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.79
LogP ≤ 52.13
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

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CID 61251263
N-[4-(6-aminohexanoylamino)phenyl]cyclopropanecarboxamide
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N-[3-(butanoylamino)phenyl]cyclopropanecarboxamide
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N-[4-(4-aminobutanoylamino)-2-methoxyphenyl]cyclopropanecarboxamide
CID 39193167
N-[3-[3-(ethylamino)propanoylamino]phenyl]cyclopropanecarboxamide
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N-[3-(3-aminobutanoylamino)phenyl]cyclopropanecarboxamide;hydrochloride
CID 119710490
N-[3-(aminomethyl)phenyl]cyclopropanecarboxamide;hydrochloride
CID 155822223
N-[3-(hexanoylamino)phenyl]piperidine-4-carboxamide
CID 54794464
N-[3-[4-(2,4-dichlorophenoxy)butanoylamino]phenyl]cyclopropanecarboxamide
CID 38324971
N-[3-(butanoylamino)phenyl]cyclopentanecarboxamide
CID 47309445
N-[3-[3-(aminomethyl)pentanoylamino]phenyl]cyclopropanecarboxamide
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4-amino-N-[3-(hydroxymethyl)phenyl]butanamide
CID 43707512

Frequently Asked Questions

What is the IUPAC name of N-[3-(4-aminobutanoylamino)phenyl]cyclopropanecarboxamide;hydrochloride?
The IUPAC name of N-[3-(4-aminobutanoylamino)phenyl]cyclopropanecarboxamide;hydrochloride (CID 119282191) is N-[3-(4-aminobutanoylamino)phenyl]cyclopropanecarboxamide;hydrochloride.
What is the SMILES notation for N-[3-(4-aminobutanoylamino)phenyl]cyclopropanecarboxamide;hydrochloride?
The canonical SMILES for N-[3-(4-aminobutanoylamino)phenyl]cyclopropanecarboxamide;hydrochloride is Cl.NCCCC(=O)Nc1cccc(NC(=O)C2CC2)c1.
What is the InChIKey of N-[3-(4-aminobutanoylamino)phenyl]cyclopropanecarboxamide;hydrochloride?
The InChIKey is RXKMEUIGTHKWSX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N3O2.ClH/c15-8-2-5-13(18)16-11-3-1-4-12(9-11)17-14(19)10-6-7-10;/h1,3-4,9-10H,2,5-8,15H2,(H,16,18)(H,17,19);1H.
What are the key properties of N-[3-(4-aminobutanoylamino)phenyl]cyclopropanecarboxamide;hydrochloride?
N-[3-(4-aminobutanoylamino)phenyl]cyclopropanecarboxamide;hydrochloride has a molecular weight of 297.79 g/mol, XLogP of 2.13, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(4-aminobutanoylamino)phenyl]cyclopropanecarboxamide;hydrochloride is sourced from PubChem (CID 119282191), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).