1-(4-aminophenyl)-N-(2-methoxypropyl)cyclopropane-1-carboxamide

C14H20N2O2 — CID 102695125

IUPAC1-(4-aminophenyl)-N-(2-methoxypropyl)cyclopropane-1-carboxamide
SMILESCOC(C)CNC(=O)C1(c2ccc(N)cc2)CC1
InChIInChI=1S/C14H20N2O2/c1-10(18-2)9-16-13(17)14(7-8-14)11-3-5-12(15)6-4-11/h3-6,10H,7-9,15H2,1-2H3,(H,16,17)
InChIKeyHIJHUFMYHRWYOY-UHFFFAOYSA-N
MW248.33 g/mol
LogP1.45
Rot. Bonds5

About 1-(4-aminophenyl)-N-(2-methoxypropyl)cyclopropane-1-carboxamide

1-(4-aminophenyl)-N-(2-methoxypropyl)cyclopropane-1-carboxamide (PubChem CID 102695125) has the molecular formula C14H20N2O2 and a molecular weight of 248.33 g/mol. Its IUPAC name is 1-(4-aminophenyl)-N-(2-methoxypropyl)cyclopropane-1-carboxamide.

Molecular Properties

Compound Name1-(4-aminophenyl)-N-(2-methoxypropyl)cyclopropane-1-carboxamide
PubChem CID102695125
Molecular FormulaC14H20N2O2
Molecular Weight248.33 g/mol
Exact Mass248.15
IUPAC Name1-(4-aminophenyl)-N-(2-methoxypropyl)cyclopropane-1-carboxamide
SMILESCOC(C)CNC(=O)C1(c2ccc(N)cc2)CC1
InChIInChI=1S/C14H20N2O2/c1-10(18-2)9-16-13(17)14(7-8-14)11-3-5-12(15)6-4-11/h3-6,10H,7-9,15H2,1-2H3,(H,16,17)
InChIKeyHIJHUFMYHRWYOY-UHFFFAOYSA-N
XLogP1.45
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.33
LogP ≤ 51.45
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

3-[[1-(4-aminophenyl)cyclopropanecarbonyl]amino]-2-methoxypropanoic acid
CID 106108848
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-(3-propan-2-yloxypropyl)cyclopropane-1-carboxamide
CID 115913536
1-(4-aminophenyl)-N-(3-methylpentan-2-yl)cyclopropane-1-carboxamide
CID 112558324
3-(4-aminophenyl)-N-(2-methoxypropyl)propanamide
CID 102694281
1-(4-aminophenyl)-N-(1-methoxypentan-2-yl)cyclopropane-1-carboxamide
CID 115913721
(2S)-2-[[1-(4-aminophenyl)cyclopropanecarbonyl]amino]propanoic acid
CID 103930588
1-(4-aminophenyl)-N-[3-(methylamino)-3-oxopropyl]cyclopropane-1-carboxamide
CID 112558336
1-(4-aminophenyl)-N-hexylcyclopropane-1-carboxamide
CID 112558265
3-[[1-(4-fluorophenyl)cyclopropanecarbonyl]amino]-2-methoxypropanoic acid
CID 106107057
1-(4-aminophenyl)-N-propan-2-ylsulfonylcyclopropane-1-carboxamide
CID 103308179

Frequently Asked Questions

What is the IUPAC name of 1-(4-aminophenyl)-N-(2-methoxypropyl)cyclopropane-1-carboxamide?
The IUPAC name of 1-(4-aminophenyl)-N-(2-methoxypropyl)cyclopropane-1-carboxamide (CID 102695125) is 1-(4-aminophenyl)-N-(2-methoxypropyl)cyclopropane-1-carboxamide.
What is the SMILES notation for 1-(4-aminophenyl)-N-(2-methoxypropyl)cyclopropane-1-carboxamide?
The canonical SMILES for 1-(4-aminophenyl)-N-(2-methoxypropyl)cyclopropane-1-carboxamide is COC(C)CNC(=O)C1(c2ccc(N)cc2)CC1.
What is the InChIKey of 1-(4-aminophenyl)-N-(2-methoxypropyl)cyclopropane-1-carboxamide?
The InChIKey is HIJHUFMYHRWYOY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2O2/c1-10(18-2)9-16-13(17)14(7-8-14)11-3-5-12(15)6-4-11/h3-6,10H,7-9,15H2,1-2H3,(H,16,17).
What are the key properties of 1-(4-aminophenyl)-N-(2-methoxypropyl)cyclopropane-1-carboxamide?
1-(4-aminophenyl)-N-(2-methoxypropyl)cyclopropane-1-carboxamide has a molecular weight of 248.33 g/mol, XLogP of 1.45, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-aminophenyl)-N-(2-methoxypropyl)cyclopropane-1-carboxamide is sourced from PubChem (CID 102695125), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).