1-(4-aminophenyl)-N-methoxycyclopropane-1-carboxamide

C11H14N2O2 — CID 112558390

IUPAC1-(4-aminophenyl)-N-methoxycyclopropane-1-carboxamide
SMILESCONC(=O)C1(c2ccc(N)cc2)CC1
InChIInChI=1S/C11H14N2O2/c1-15-13-10(14)11(6-7-11)8-2-4-9(12)5-3-8/h2-5H,6-7,12H2,1H3,(H,13,14)
InChIKeyPHHBTORUMYWJQP-UHFFFAOYSA-N
MW206.25 g/mol
LogP0.98
Rot. Bonds3

About 1-(4-aminophenyl)-N-methoxycyclopropane-1-carboxamide

1-(4-aminophenyl)-N-methoxycyclopropane-1-carboxamide (PubChem CID 112558390) has the molecular formula C11H14N2O2 and a molecular weight of 206.25 g/mol. Its IUPAC name is 1-(4-aminophenyl)-N-methoxycyclopropane-1-carboxamide.

Molecular Properties

Compound Name1-(4-aminophenyl)-N-methoxycyclopropane-1-carboxamide
PubChem CID112558390
Molecular FormulaC11H14N2O2
Molecular Weight206.25 g/mol
Exact Mass206.11
IUPAC Name1-(4-aminophenyl)-N-methoxycyclopropane-1-carboxamide
SMILESCONC(=O)C1(c2ccc(N)cc2)CC1
InChIInChI=1S/C11H14N2O2/c1-15-13-10(14)11(6-7-11)8-2-4-9(12)5-3-8/h2-5H,6-7,12H2,1H3,(H,13,14)
InChIKeyPHHBTORUMYWJQP-UHFFFAOYSA-N
XLogP0.98
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.25
LogP ≤ 50.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

1-(4-aminophenyl)-N-(1,1-dimethoxypropan-2-yl)cyclopropane-1-carboxamide
CID 115913719
1-(4-aminophenyl)-N-(2-methoxypropyl)cyclopropane-1-carboxamide
CID 102695125
1-(4-aminophenyl)-N-(2,2,2-trifluoroethoxy)cyclopropane-1-carboxamide
CID 112558437
1-(4-aminophenyl)-N-(3-hydroxy-2,3-dimethylbutan-2-yl)cyclopropane-1-carboxamide
CID 106188279
(2S)-2-[[1-(4-aminophenyl)cyclopropanecarbonyl]amino]propanoic acid
CID 103930588
3-[[1-(4-aminophenyl)cyclopropanecarbonyl]amino]-2-methoxypropanoic acid
CID 106108848
1-(4-aminophenyl)-N-(3-methylpentan-2-yl)cyclopropane-1-carboxamide
CID 112558324
1-(4-aminophenyl)-N-phenylcyclopropane-1-carboxamide
CID 99613024
1-(4-aminophenyl)-N-propan-2-ylsulfonylcyclopropane-1-carboxamide
CID 103308179
3-methoxypropyl 1-(4-aminophenyl)cyclopropane-1-carboxylate
CID 112558510
1-(4-aminophenyl)-N-(1-methoxypentan-2-yl)cyclopropane-1-carboxamide
CID 115913721
(2R)-2-[[1-(4-aminophenyl)cyclopropanecarbonyl]amino]-3-methylbutanoic acid
CID 103930596

Frequently Asked Questions

What is the IUPAC name of 1-(4-aminophenyl)-N-methoxycyclopropane-1-carboxamide?
The IUPAC name of 1-(4-aminophenyl)-N-methoxycyclopropane-1-carboxamide (CID 112558390) is 1-(4-aminophenyl)-N-methoxycyclopropane-1-carboxamide.
What is the SMILES notation for 1-(4-aminophenyl)-N-methoxycyclopropane-1-carboxamide?
The canonical SMILES for 1-(4-aminophenyl)-N-methoxycyclopropane-1-carboxamide is CONC(=O)C1(c2ccc(N)cc2)CC1.
What is the InChIKey of 1-(4-aminophenyl)-N-methoxycyclopropane-1-carboxamide?
The InChIKey is PHHBTORUMYWJQP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14N2O2/c1-15-13-10(14)11(6-7-11)8-2-4-9(12)5-3-8/h2-5H,6-7,12H2,1H3,(H,13,14).
What are the key properties of 1-(4-aminophenyl)-N-methoxycyclopropane-1-carboxamide?
1-(4-aminophenyl)-N-methoxycyclopropane-1-carboxamide has a molecular weight of 206.25 g/mol, XLogP of 0.98, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-aminophenyl)-N-methoxycyclopropane-1-carboxamide is sourced from PubChem (CID 112558390), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).