1-(4-aminophenyl)-N-(3-hydroxy-2,3-dimethylbutan-2-yl)cyclopropane-1-carboxamide

C16H24N2O2 — CID 106188279

IUPAC1-(4-aminophenyl)-N-(3-hydroxy-2,3-dimethylbutan-2-yl)cyclopropane-1-carboxamide
SMILESCC(C)(O)C(C)(C)NC(=O)C1(c2ccc(N)cc2)CC1
InChIInChI=1S/C16H24N2O2/c1-14(2,15(3,4)20)18-13(19)16(9-10-16)11-5-7-12(17)8-6-11/h5-8,20H,9-10,17H2,1-4H3,(H,18,19)
InChIKeyZSHGHZQEBZXPAJ-UHFFFAOYSA-N
MW276.38 g/mol
LogP1.97
Rot. Bonds4

About 1-(4-aminophenyl)-N-(3-hydroxy-2,3-dimethylbutan-2-yl)cyclopropane-1-carboxamide

1-(4-aminophenyl)-N-(3-hydroxy-2,3-dimethylbutan-2-yl)cyclopropane-1-carboxamide (PubChem CID 106188279) has the molecular formula C16H24N2O2 and a molecular weight of 276.38 g/mol. Its IUPAC name is 1-(4-aminophenyl)-N-(3-hydroxy-2,3-dimethylbutan-2-yl)cyclopropane-1-carboxamide.

Molecular Properties

Compound Name1-(4-aminophenyl)-N-(3-hydroxy-2,3-dimethylbutan-2-yl)cyclopropane-1-carboxamide
PubChem CID106188279
Molecular FormulaC16H24N2O2
Molecular Weight276.38 g/mol
Exact Mass276.18
IUPAC Name1-(4-aminophenyl)-N-(3-hydroxy-2,3-dimethylbutan-2-yl)cyclopropane-1-carboxamide
SMILESCC(C)(O)C(C)(C)NC(=O)C1(c2ccc(N)cc2)CC1
InChIInChI=1S/C16H24N2O2/c1-14(2,15(3,4)20)18-13(19)16(9-10-16)11-5-7-12(17)8-6-11/h5-8,20H,9-10,17H2,1-4H3,(H,18,19)
InChIKeyZSHGHZQEBZXPAJ-UHFFFAOYSA-N
XLogP1.97
TPSA75.35 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.38
LogP ≤ 51.97
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

3-[[1-(4-aminophenyl)cyclopropanecarbonyl]amino]-2-hydroxy-2-methylpropanoic acid
CID 115913793
1-(4-aminophenyl)-N-methoxycyclopropane-1-carboxamide
CID 112558390
1-(4-aminophenyl)-N-piperidin-1-ylcyclopropane-1-carboxamide
CID 112558444
(2S)-2-[[1-(4-aminophenyl)cyclopropanecarbonyl]amino]propanoic acid
CID 103930588
1-(4-aminophenyl)-N-phenylcyclopropane-1-carboxamide
CID 99613024
1-(4-aminophenyl)-N-propan-2-ylsulfonylcyclopropane-1-carboxamide
CID 103308179
1-(4-aminophenyl)-N-(2,2,2-trifluoroethoxy)cyclopropane-1-carboxamide
CID 112558437
(2R)-2-[[1-(4-aminophenyl)cyclopropanecarbonyl]amino]-3-methylbutanoic acid
CID 103930596
(2S)-2-[[1-(4-aminophenyl)cyclopropanecarbonyl]amino]-3-methylbutanoic acid
CID 103930585
1-(4-aminophenyl)cyclopropane-1-carboxylic acid;hydrochloride
CID 155970614
1-(4-aminophenyl)-N-(2-methyl-1,2,4-triazol-3-yl)cyclopropane-1-carboxamide
CID 112558424
3-[[1-(4-aminophenyl)cyclopropanecarbonyl]amino]-2-methoxypropanoic acid
CID 106108848

Frequently Asked Questions

What is the IUPAC name of 1-(4-aminophenyl)-N-(3-hydroxy-2,3-dimethylbutan-2-yl)cyclopropane-1-carboxamide?
The IUPAC name of 1-(4-aminophenyl)-N-(3-hydroxy-2,3-dimethylbutan-2-yl)cyclopropane-1-carboxamide (CID 106188279) is 1-(4-aminophenyl)-N-(3-hydroxy-2,3-dimethylbutan-2-yl)cyclopropane-1-carboxamide.
What is the SMILES notation for 1-(4-aminophenyl)-N-(3-hydroxy-2,3-dimethylbutan-2-yl)cyclopropane-1-carboxamide?
The canonical SMILES for 1-(4-aminophenyl)-N-(3-hydroxy-2,3-dimethylbutan-2-yl)cyclopropane-1-carboxamide is CC(C)(O)C(C)(C)NC(=O)C1(c2ccc(N)cc2)CC1.
What is the InChIKey of 1-(4-aminophenyl)-N-(3-hydroxy-2,3-dimethylbutan-2-yl)cyclopropane-1-carboxamide?
The InChIKey is ZSHGHZQEBZXPAJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N2O2/c1-14(2,15(3,4)20)18-13(19)16(9-10-16)11-5-7-12(17)8-6-11/h5-8,20H,9-10,17H2,1-4H3,(H,18,19).
What are the key properties of 1-(4-aminophenyl)-N-(3-hydroxy-2,3-dimethylbutan-2-yl)cyclopropane-1-carboxamide?
1-(4-aminophenyl)-N-(3-hydroxy-2,3-dimethylbutan-2-yl)cyclopropane-1-carboxamide has a molecular weight of 276.38 g/mol, XLogP of 1.97, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-aminophenyl)-N-(3-hydroxy-2,3-dimethylbutan-2-yl)cyclopropane-1-carboxamide is sourced from PubChem (CID 106188279), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).