1-amino-N-[4-(3-methylbutanoylamino)phenyl]cyclopropane-1-carboxamide;hydrochloride

C15H22ClN3O2 — CID 119703596

IUPAC1-amino-N-[4-(3-methylbutanoylamino)phenyl]cyclopropane-1-carboxamide;hydrochloride
SMILESCC(C)CC(=O)Nc1ccc(NC(=O)C2(N)CC2)cc1.Cl
InChIInChI=1S/C15H21N3O2.ClH/c1-10(2)9-13(19)17-11-3-5-12(6-4-11)18-14(20)15(16)7-8-15;/h3-6,10H,7-9,16H2,1-2H3,(H,17,19)(H,18,20);1H
InChIKeyWWRNTKFICCCUBS-UHFFFAOYSA-N
MW311.81 g/mol
LogP2.52
Rot. Bonds5

About 1-amino-N-[4-(3-methylbutanoylamino)phenyl]cyclopropane-1-carboxamide;hydrochloride

1-amino-N-[4-(3-methylbutanoylamino)phenyl]cyclopropane-1-carboxamide;hydrochloride (PubChem CID 119703596) has the molecular formula C15H22ClN3O2 and a molecular weight of 311.81 g/mol. Its IUPAC name is 1-amino-N-[4-(3-methylbutanoylamino)phenyl]cyclopropane-1-carboxamide;hydrochloride.

Molecular Properties

Compound Name1-amino-N-[4-(3-methylbutanoylamino)phenyl]cyclopropane-1-carboxamide;hydrochloride
PubChem CID119703596
Molecular FormulaC15H22ClN3O2
Molecular Weight311.81 g/mol
Exact Mass311.14
IUPAC Name1-amino-N-[4-(3-methylbutanoylamino)phenyl]cyclopropane-1-carboxamide;hydrochloride
SMILESCC(C)CC(=O)Nc1ccc(NC(=O)C2(N)CC2)cc1.Cl
InChIInChI=1S/C15H21N3O2.ClH/c1-10(2)9-13(19)17-11-3-5-12(6-4-11)18-14(20)15(16)7-8-15;/h3-6,10H,7-9,16H2,1-2H3,(H,17,19)(H,18,20);1H
InChIKeyWWRNTKFICCCUBS-UHFFFAOYSA-N
XLogP2.52
TPSA84.22 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.81
LogP ≤ 52.52
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

1-amino-N-[4-(propan-2-ylcarbamoylamino)phenyl]cyclopropane-1-carboxamide;hydrochloride
CID 119704507
N-(4-hydroxyphenyl)-3-methylbutanamide
CID 836029
1-amino-N-[4-(propan-2-ylcarbamoylamino)phenyl]cyclopropane-1-carboxamide
CID 119704508
1-amino-N-(4-propan-2-ylsulfanylphenyl)cyclopropane-1-carboxamide
CID 115189626
1-amino-N-[[3-(3-methylbutanoylamino)phenyl]methyl]cyclopentane-1-carboxamide;hydrochloride
CID 119301492
3-methyl-N-[4-(methylamino)phenyl]butanamide
CID 63090374
1-amino-N-phenylcyclopropane-1-carboxamide;hydrochloride
CID 75467843
1-amino-N-(4-propan-2-ylphenyl)cyclohexane-1-carboxamide;hydrochloride
CID 119262760
4-amino-3-methyl-N-[4-(3-methylbutanoylamino)phenyl]butanamide
CID 81084171
1-amino-N-[4-(propan-2-ylcarbamoylamino)phenyl]cyclohexane-1-carboxamide;hydrochloride
CID 119279259
propan-2-yl 4-[(1-aminocyclopropanecarbonyl)amino]benzoate
CID 65466796
1-amino-N-(4-methylsulfanylphenyl)cyclopropane-1-carboxamide
CID 65465467

Frequently Asked Questions

What is the IUPAC name of 1-amino-N-[4-(3-methylbutanoylamino)phenyl]cyclopropane-1-carboxamide;hydrochloride?
The IUPAC name of 1-amino-N-[4-(3-methylbutanoylamino)phenyl]cyclopropane-1-carboxamide;hydrochloride (CID 119703596) is 1-amino-N-[4-(3-methylbutanoylamino)phenyl]cyclopropane-1-carboxamide;hydrochloride.
What is the SMILES notation for 1-amino-N-[4-(3-methylbutanoylamino)phenyl]cyclopropane-1-carboxamide;hydrochloride?
The canonical SMILES for 1-amino-N-[4-(3-methylbutanoylamino)phenyl]cyclopropane-1-carboxamide;hydrochloride is CC(C)CC(=O)Nc1ccc(NC(=O)C2(N)CC2)cc1.Cl.
What is the InChIKey of 1-amino-N-[4-(3-methylbutanoylamino)phenyl]cyclopropane-1-carboxamide;hydrochloride?
The InChIKey is WWRNTKFICCCUBS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N3O2.ClH/c1-10(2)9-13(19)17-11-3-5-12(6-4-11)18-14(20)15(16)7-8-15;/h3-6,10H,7-9,16H2,1-2H3,(H,17,19)(H,18,20);1H.
What are the key properties of 1-amino-N-[4-(3-methylbutanoylamino)phenyl]cyclopropane-1-carboxamide;hydrochloride?
1-amino-N-[4-(3-methylbutanoylamino)phenyl]cyclopropane-1-carboxamide;hydrochloride has a molecular weight of 311.81 g/mol, XLogP of 2.52, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-amino-N-[4-(3-methylbutanoylamino)phenyl]cyclopropane-1-carboxamide;hydrochloride is sourced from PubChem (CID 119703596), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).