1-amino-N-(3,4,5-trimethoxyphenyl)cyclopropane-1-carboxamide

C13H18N2O4 — CID 65464390

IUPAC1-amino-N-(3,4,5-trimethoxyphenyl)cyclopropane-1-carboxamide
SMILESCOc1cc(NC(=O)C2(N)CC2)cc(OC)c1OC
InChIInChI=1S/C13H18N2O4/c1-17-9-6-8(7-10(18-2)11(9)19-3)15-12(16)13(14)4-5-13/h6-7H,4-5,14H2,1-3H3,(H,15,16)
InChIKeyCGWUIEAVIYJAGX-UHFFFAOYSA-N
MW266.30 g/mol
LogP1.14
Rot. Bonds5

About 1-amino-N-(3,4,5-trimethoxyphenyl)cyclopropane-1-carboxamide

1-amino-N-(3,4,5-trimethoxyphenyl)cyclopropane-1-carboxamide (PubChem CID 65464390) has the molecular formula C13H18N2O4 and a molecular weight of 266.30 g/mol. Its IUPAC name is 1-amino-N-(3,4,5-trimethoxyphenyl)cyclopropane-1-carboxamide.

Molecular Properties

Compound Name1-amino-N-(3,4,5-trimethoxyphenyl)cyclopropane-1-carboxamide
PubChem CID65464390
Molecular FormulaC13H18N2O4
Molecular Weight266.30 g/mol
Exact Mass266.13
IUPAC Name1-amino-N-(3,4,5-trimethoxyphenyl)cyclopropane-1-carboxamide
SMILESCOc1cc(NC(=O)C2(N)CC2)cc(OC)c1OC
InChIInChI=1S/C13H18N2O4/c1-17-9-6-8(7-10(18-2)11(9)19-3)15-12(16)13(14)4-5-13/h6-7H,4-5,14H2,1-3H3,(H,15,16)
InChIKeyCGWUIEAVIYJAGX-UHFFFAOYSA-N
XLogP1.14
TPSA82.81 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.30
LogP ≤ 51.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

1-amino-N-(3,4-dimethoxyphenyl)cyclohexane-1-carboxamide;hydrochloride
CID 119263106
1-methyl-3-(3,4,5-trimethoxyphenyl)urea
CID 17171369
1-amino-N-(3,5-dimethylphenyl)cyclopropane-1-carboxamide
CID 65465042
N-(3-hydroxy-4,5-dimethoxyphenyl)adamantane-1-carboxamide
CID 4018470
4-[(1-aminocyclopentanecarbonyl)amino]-2-methoxybenzoic acid
CID 107208023
1-amino-N-(4-methoxy-3-nitrophenyl)cyclopropane-1-carboxamide
CID 113385263
1-amino-N-[4-methoxy-3-(2,2,2-trifluoroethoxy)phenyl]cyclopropane-1-carboxamide;hydrochloride
CID 119717596
1-N-(3-fluorophenyl)-1-N'-(3,4,5-trimethoxyphenyl)cyclopropane-1,1-dicarboxamide
CID 108983639
4-amino-N-(4-fluoro-3-methoxyphenyl)oxane-4-carboxamide
CID 114839694
1-amino-N-(2,4-dimethoxyphenyl)cyclopropane-1-carboxamide
CID 65466971
1-amino-N-[3-(2-amino-2-oxoethoxy)-4-methoxyphenyl]cyclopentane-1-carboxamide
CID 119286080
(3,4,5-trimethoxyphenyl)thiourea
CID 2760811

Frequently Asked Questions

What is the IUPAC name of 1-amino-N-(3,4,5-trimethoxyphenyl)cyclopropane-1-carboxamide?
The IUPAC name of 1-amino-N-(3,4,5-trimethoxyphenyl)cyclopropane-1-carboxamide (CID 65464390) is 1-amino-N-(3,4,5-trimethoxyphenyl)cyclopropane-1-carboxamide.
What is the SMILES notation for 1-amino-N-(3,4,5-trimethoxyphenyl)cyclopropane-1-carboxamide?
The canonical SMILES for 1-amino-N-(3,4,5-trimethoxyphenyl)cyclopropane-1-carboxamide is COc1cc(NC(=O)C2(N)CC2)cc(OC)c1OC.
What is the InChIKey of 1-amino-N-(3,4,5-trimethoxyphenyl)cyclopropane-1-carboxamide?
The InChIKey is CGWUIEAVIYJAGX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N2O4/c1-17-9-6-8(7-10(18-2)11(9)19-3)15-12(16)13(14)4-5-13/h6-7H,4-5,14H2,1-3H3,(H,15,16).
What are the key properties of 1-amino-N-(3,4,5-trimethoxyphenyl)cyclopropane-1-carboxamide?
1-amino-N-(3,4,5-trimethoxyphenyl)cyclopropane-1-carboxamide has a molecular weight of 266.30 g/mol, XLogP of 1.14, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-amino-N-(3,4,5-trimethoxyphenyl)cyclopropane-1-carboxamide is sourced from PubChem (CID 65464390), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).