1-amino-N-[3-(2,2-dimethylpropanoylamino)-4-methylphenyl]cyclopropane-1-carboxamide

C16H23N3O2 — CID 119780748

IUPAC1-amino-N-[3-(2,2-dimethylpropanoylamino)-4-methylphenyl]cyclopropane-1-carboxamide
SMILESCc1ccc(NC(=O)C2(N)CC2)cc1NC(=O)C(C)(C)C
InChIInChI=1S/C16H23N3O2/c1-10-5-6-11(18-14(21)16(17)7-8-16)9-12(10)19-13(20)15(2,3)4/h5-6,9H,7-8,17H2,1-4H3,(H,18,21)(H,19,20)
InChIKeyRMUBHDCCPMXPDU-UHFFFAOYSA-N
MW289.38 g/mol
LogP2.41
Rot. Bonds3

About 1-amino-N-[3-(2,2-dimethylpropanoylamino)-4-methylphenyl]cyclopropane-1-carboxamide

1-amino-N-[3-(2,2-dimethylpropanoylamino)-4-methylphenyl]cyclopropane-1-carboxamide (PubChem CID 119780748) has the molecular formula C16H23N3O2 and a molecular weight of 289.38 g/mol. Its IUPAC name is 1-amino-N-[3-(2,2-dimethylpropanoylamino)-4-methylphenyl]cyclopropane-1-carboxamide.

Molecular Properties

Compound Name1-amino-N-[3-(2,2-dimethylpropanoylamino)-4-methylphenyl]cyclopropane-1-carboxamide
PubChem CID119780748
Molecular FormulaC16H23N3O2
Molecular Weight289.38 g/mol
Exact Mass289.18
IUPAC Name1-amino-N-[3-(2,2-dimethylpropanoylamino)-4-methylphenyl]cyclopropane-1-carboxamide
SMILESCc1ccc(NC(=O)C2(N)CC2)cc1NC(=O)C(C)(C)C
InChIInChI=1S/C16H23N3O2/c1-10-5-6-11(18-14(21)16(17)7-8-16)9-12(10)19-13(20)15(2,3)4/h5-6,9H,7-8,17H2,1-4H3,(H,18,21)(H,19,20)
InChIKeyRMUBHDCCPMXPDU-UHFFFAOYSA-N
XLogP2.41
TPSA84.22 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.38
LogP ≤ 52.41
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

1-amino-N-(3-fluoro-4-methylphenyl)cyclopropane-1-carboxamide
CID 65465257
N-[5-[[2-(1-hydroxycyclopentyl)acetyl]amino]-2-methylphenyl]-2,2-dimethylpropanamide
CID 111538466
(2S)-2-amino-N-[3-(2,2-dimethylpropanoylamino)-4-methylphenyl]-3,3-dimethylbutanamide
CID 119780776
2,2-dimethyl-N-[2-methyl-5-[[2-(methylamino)acetyl]amino]phenyl]propanamide
CID 119780770
1-amino-N-(5-chloro-2-methylphenyl)cyclopropane-1-carboxamide
CID 65465047
1-amino-N-(4-bromo-3-methylphenyl)cyclopropane-1-carboxamide;hydrochloride
CID 119673461
1-amino-N-(3-iodo-4-methylphenyl)cyclopentane-1-carboxamide
CID 60853897
5-[(1-aminocyclopropanecarbonyl)amino]-N,N,2-trimethylbenzamide
CID 119808581
1-amino-N-[4-methyl-3-(trifluoromethyl)phenyl]cyclobutane-1-carboxamide
CID 81168565
N-(5-acetamido-2-methylphenyl)-3-aminooxolane-3-carboxamide
CID 64893119
4-[[3-(2,2-dimethylpropanoylamino)-4-methylphenyl]carbamoyl]cyclohexane-1-carboxylic acid
CID 120673576
N-[3-(2,2-dimethylpropanoylamino)-4-methylphenyl]-2-hydroxycyclopentane-1-carboxamide
CID 110015790

Frequently Asked Questions

What is the IUPAC name of 1-amino-N-[3-(2,2-dimethylpropanoylamino)-4-methylphenyl]cyclopropane-1-carboxamide?
The IUPAC name of 1-amino-N-[3-(2,2-dimethylpropanoylamino)-4-methylphenyl]cyclopropane-1-carboxamide (CID 119780748) is 1-amino-N-[3-(2,2-dimethylpropanoylamino)-4-methylphenyl]cyclopropane-1-carboxamide.
What is the SMILES notation for 1-amino-N-[3-(2,2-dimethylpropanoylamino)-4-methylphenyl]cyclopropane-1-carboxamide?
The canonical SMILES for 1-amino-N-[3-(2,2-dimethylpropanoylamino)-4-methylphenyl]cyclopropane-1-carboxamide is Cc1ccc(NC(=O)C2(N)CC2)cc1NC(=O)C(C)(C)C.
What is the InChIKey of 1-amino-N-[3-(2,2-dimethylpropanoylamino)-4-methylphenyl]cyclopropane-1-carboxamide?
The InChIKey is RMUBHDCCPMXPDU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23N3O2/c1-10-5-6-11(18-14(21)16(17)7-8-16)9-12(10)19-13(20)15(2,3)4/h5-6,9H,7-8,17H2,1-4H3,(H,18,21)(H,19,20).
What are the key properties of 1-amino-N-[3-(2,2-dimethylpropanoylamino)-4-methylphenyl]cyclopropane-1-carboxamide?
1-amino-N-[3-(2,2-dimethylpropanoylamino)-4-methylphenyl]cyclopropane-1-carboxamide has a molecular weight of 289.38 g/mol, XLogP of 2.41, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-amino-N-[3-(2,2-dimethylpropanoylamino)-4-methylphenyl]cyclopropane-1-carboxamide is sourced from PubChem (CID 119780748), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).