1-(4-aminophenyl)-N-(1-methoxypentan-2-yl)cyclopropane-1-carboxamide

C16H24N2O2 — CID 115913721

IUPAC1-(4-aminophenyl)-N-(1-methoxypentan-2-yl)cyclopropane-1-carboxamide
SMILESCCCC(COC)NC(=O)C1(c2ccc(N)cc2)CC1
InChIInChI=1S/C16H24N2O2/c1-3-4-14(11-20-2)18-15(19)16(9-10-16)12-5-7-13(17)8-6-12/h5-8,14H,3-4,9-11,17H2,1-2H3,(H,18,19)
InChIKeyQPPZWIUYKCCVIZ-UHFFFAOYSA-N
MW276.38 g/mol
LogP2.23
Rot. Bonds7

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

1-(4-aminophenyl)-N-(1-methoxypentan-2-yl)cyclopropane-1-carboxamide (PubChem CID 115913721) has the molecular formula C16H24N2O2 and a molecular weight of 276.38 g/mol. Its IUPAC name is 1-(4-aminophenyl)-N-(1-methoxypentan-2-yl)cyclopropane-1-carboxamide.

Molecular Properties

Compound Name1-(4-aminophenyl)-N-(1-methoxypentan-2-yl)cyclopropane-1-carboxamide
PubChem CID115913721
Molecular FormulaC16H24N2O2
Molecular Weight276.38 g/mol
Exact Mass276.18
IUPAC Name1-(4-aminophenyl)-N-(1-methoxypentan-2-yl)cyclopropane-1-carboxamide
SMILESCCCC(COC)NC(=O)C1(c2ccc(N)cc2)CC1
InChIInChI=1S/C16H24N2O2/c1-3-4-14(11-20-2)18-15(19)16(9-10-16)12-5-7-13(17)8-6-12/h5-8,14H,3-4,9-11,17H2,1-2H3,(H,18,19)
InChIKeyQPPZWIUYKCCVIZ-UHFFFAOYSA-N
XLogP2.23
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.38
LogP ≤ 52.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

1-(4-aminophenyl)-N-(3-methylpentan-2-yl)cyclopropane-1-carboxamide
CID 112558324
2-[[1-(4-aminophenyl)cyclopropanecarbonyl]amino]hexanoic acid
CID 115913511
1-(4-aminophenyl)-N-(1-cyanobutan-2-yl)cyclopropane-1-carboxamide
CID 112558350
1-(4-aminophenyl)-N-(1,1-dimethoxypropan-2-yl)cyclopropane-1-carboxamide
CID 115913719
1-(4-aminophenyl)-N-methoxycyclopropane-1-carboxamide
CID 112558390
1-(4-aminophenyl)-N-(2-methoxypropyl)cyclopropane-1-carboxamide
CID 102695125
(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
3-[[1-(4-aminophenyl)cyclopropanecarbonyl]amino]-2-methoxypropanoic acid
CID 106108848
(2S)-2-[[1-(4-aminophenyl)cyclopropanecarbonyl]amino]-4-hydroxybutanoic acid
CID 107824796
(2R)-2-[[1-(4-aminophenyl)cyclopropanecarbonyl]amino]-3-methylbutanoic acid
CID 103930596
(2S)-2-[[1-(4-aminophenyl)cyclopropanecarbonyl]amino]-3-methylbutanoic acid
CID 103930585

Frequently Asked Questions

What is the IUPAC name of 1-(4-aminophenyl)-N-(1-methoxypentan-2-yl)cyclopropane-1-carboxamide?
The IUPAC name of 1-(4-aminophenyl)-N-(1-methoxypentan-2-yl)cyclopropane-1-carboxamide (CID 115913721) is 1-(4-aminophenyl)-N-(1-methoxypentan-2-yl)cyclopropane-1-carboxamide.
What is the SMILES notation for 1-(4-aminophenyl)-N-(1-methoxypentan-2-yl)cyclopropane-1-carboxamide?
The canonical SMILES for 1-(4-aminophenyl)-N-(1-methoxypentan-2-yl)cyclopropane-1-carboxamide is CCCC(COC)NC(=O)C1(c2ccc(N)cc2)CC1.
What is the InChIKey of 1-(4-aminophenyl)-N-(1-methoxypentan-2-yl)cyclopropane-1-carboxamide?
The InChIKey is QPPZWIUYKCCVIZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N2O2/c1-3-4-14(11-20-2)18-15(19)16(9-10-16)12-5-7-13(17)8-6-12/h5-8,14H,3-4,9-11,17H2,1-2H3,(H,18,19).
What are the key properties of 1-(4-aminophenyl)-N-(1-methoxypentan-2-yl)cyclopropane-1-carboxamide?
1-(4-aminophenyl)-N-(1-methoxypentan-2-yl)cyclopropane-1-carboxamide has a molecular weight of 276.38 g/mol, XLogP of 2.23, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-aminophenyl)-N-(1-methoxypentan-2-yl)cyclopropane-1-carboxamide is sourced from PubChem (CID 115913721), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).