1-(4-aminophenyl)-N-(3-methylpentan-2-yl)cyclopropane-1-carboxamide

C16H24N2O — CID 112558324

IUPAC1-(4-aminophenyl)-N-(3-methylpentan-2-yl)cyclopropane-1-carboxamide
SMILESCCC(C)C(C)NC(=O)C1(c2ccc(N)cc2)CC1
InChIInChI=1S/C16H24N2O/c1-4-11(2)12(3)18-15(19)16(9-10-16)13-5-7-14(17)8-6-13/h5-8,11-12H,4,9-10,17H2,1-3H3,(H,18,19)
InChIKeyXAIDKLKESFPPQZ-UHFFFAOYSA-N
MW260.38 g/mol
LogP2.85
Rot. Bonds5

About 1-(4-aminophenyl)-N-(3-methylpentan-2-yl)cyclopropane-1-carboxamide

1-(4-aminophenyl)-N-(3-methylpentan-2-yl)cyclopropane-1-carboxamide (PubChem CID 112558324) has the molecular formula C16H24N2O and a molecular weight of 260.38 g/mol. Its IUPAC name is 1-(4-aminophenyl)-N-(3-methylpentan-2-yl)cyclopropane-1-carboxamide.

Molecular Properties

Compound Name1-(4-aminophenyl)-N-(3-methylpentan-2-yl)cyclopropane-1-carboxamide
PubChem CID112558324
Molecular FormulaC16H24N2O
Molecular Weight260.38 g/mol
Exact Mass260.19
IUPAC Name1-(4-aminophenyl)-N-(3-methylpentan-2-yl)cyclopropane-1-carboxamide
SMILESCCC(C)C(C)NC(=O)C1(c2ccc(N)cc2)CC1
InChIInChI=1S/C16H24N2O/c1-4-11(2)12(3)18-15(19)16(9-10-16)13-5-7-14(17)8-6-13/h5-8,11-12H,4,9-10,17H2,1-3H3,(H,18,19)
InChIKeyXAIDKLKESFPPQZ-UHFFFAOYSA-N
XLogP2.85
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.38
LogP ≤ 52.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

1-(4-aminophenyl)-N-(1,1-dimethoxypropan-2-yl)cyclopropane-1-carboxamide
CID 115913719
(2S)-2-[[1-(4-aminophenyl)cyclopropanecarbonyl]amino]propanoic acid
CID 103930588
1-(4-aminophenyl)-N-[1-[ethyl(methyl)amino]-1-oxopropan-2-yl]cyclopropane-1-carboxamide
CID 103109008
1-(4-aminophenyl)-N-(1-cyanobutan-2-yl)cyclopropane-1-carboxamide
CID 112558350
(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)-N-(1-methoxypentan-2-yl)cyclopropane-1-carboxamide
CID 115913721
2-(4-aminophenyl)-N-(3-methylpentan-2-yl)acetamide
CID 54950191
1-(4-aminophenyl)-N-methoxycyclopropane-1-carboxamide
CID 112558390
1-(4-aminophenyl)-N-(2-methoxypropyl)cyclopropane-1-carboxamide
CID 102695125
2-[[1-(4-aminophenyl)cyclopropanecarbonyl]amino]hexanoic acid
CID 115913511
1-[1-(4-aminophenyl)cyclopropyl]-2-ethylbutan-1-one
CID 116611814

Frequently Asked Questions

What is the IUPAC name of 1-(4-aminophenyl)-N-(3-methylpentan-2-yl)cyclopropane-1-carboxamide?
The IUPAC name of 1-(4-aminophenyl)-N-(3-methylpentan-2-yl)cyclopropane-1-carboxamide (CID 112558324) is 1-(4-aminophenyl)-N-(3-methylpentan-2-yl)cyclopropane-1-carboxamide.
What is the SMILES notation for 1-(4-aminophenyl)-N-(3-methylpentan-2-yl)cyclopropane-1-carboxamide?
The canonical SMILES for 1-(4-aminophenyl)-N-(3-methylpentan-2-yl)cyclopropane-1-carboxamide is CCC(C)C(C)NC(=O)C1(c2ccc(N)cc2)CC1.
What is the InChIKey of 1-(4-aminophenyl)-N-(3-methylpentan-2-yl)cyclopropane-1-carboxamide?
The InChIKey is XAIDKLKESFPPQZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N2O/c1-4-11(2)12(3)18-15(19)16(9-10-16)13-5-7-14(17)8-6-13/h5-8,11-12H,4,9-10,17H2,1-3H3,(H,18,19).
What are the key properties of 1-(4-aminophenyl)-N-(3-methylpentan-2-yl)cyclopropane-1-carboxamide?
1-(4-aminophenyl)-N-(3-methylpentan-2-yl)cyclopropane-1-carboxamide has a molecular weight of 260.38 g/mol, XLogP of 2.85, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-aminophenyl)-N-(3-methylpentan-2-yl)cyclopropane-1-carboxamide is sourced from PubChem (CID 112558324), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).