1-amino-N-[(4-methoxyphenyl)methyl]-N-methylcyclopropane-1-carboxamide

C13H18N2O2 — CID 65465742

IUPAC1-amino-N-[(4-methoxyphenyl)methyl]-N-methylcyclopropane-1-carboxamide
SMILESCOc1ccc(CN(C)C(=O)C2(N)CC2)cc1
InChIInChI=1S/C13H18N2O2/c1-15(12(16)13(14)7-8-13)9-10-3-5-11(17-2)6-4-10/h3-6H,7-9,14H2,1-2H3
InChIKeyPHZYLQRCWPTLPY-UHFFFAOYSA-N
MW234.30 g/mol
LogP1.14
Rot. Bonds4

About 1-amino-N-[(4-methoxyphenyl)methyl]-N-methylcyclopropane-1-carboxamide

1-amino-N-[(4-methoxyphenyl)methyl]-N-methylcyclopropane-1-carboxamide (PubChem CID 65465742) has the molecular formula C13H18N2O2 and a molecular weight of 234.30 g/mol. Its IUPAC name is 1-amino-N-[(4-methoxyphenyl)methyl]-N-methylcyclopropane-1-carboxamide.

Molecular Properties

Compound Name1-amino-N-[(4-methoxyphenyl)methyl]-N-methylcyclopropane-1-carboxamide
PubChem CID65465742
Molecular FormulaC13H18N2O2
Molecular Weight234.30 g/mol
Exact Mass234.14
IUPAC Name1-amino-N-[(4-methoxyphenyl)methyl]-N-methylcyclopropane-1-carboxamide
SMILESCOc1ccc(CN(C)C(=O)C2(N)CC2)cc1
InChIInChI=1S/C13H18N2O2/c1-15(12(16)13(14)7-8-13)9-10-3-5-11(17-2)6-4-10/h3-6H,7-9,14H2,1-2H3
InChIKeyPHZYLQRCWPTLPY-UHFFFAOYSA-N
XLogP1.14
TPSA55.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.30
LogP ≤ 51.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-amino-N-[(4-methoxyphenyl)methyl]-N-methylcyclopentane-1-carboxamide
CID 54869116
1-amino-N-cyclopropyl-N-[(4-methoxyphenyl)methyl]cyclopropane-1-carboxamide
CID 65466614
1-amino-N-[(4-chlorophenyl)methyl]-N-methylcyclopentane-1-carboxamide
CID 60938892
1-amino-N-[(4-hydroxy-3-methoxyphenyl)methyl]-N-methylcyclopentane-1-carboxamide;hydrochloride
CID 119279477
1-amino-N-[(4-fluorophenyl)methyl]-N-methylcyclopentane-1-carboxamide;hydrochloride
CID 119268138
1-amino-N-methyl-N-[(4-propan-2-ylphenyl)methyl]cyclopropane-1-carboxamide;hydrochloride
CID 119681945
2-(1-aminocyclopentyl)-N-[(4-methoxyphenyl)methyl]-N-methylacetamide
CID 64684478
1-amino-N-[(4-methoxy-3,5-dimethylphenyl)methyl]-N-methylcyclopropane-1-carboxamide
CID 115189907
1-amino-N-methyl-N-[(4-methylsulfanylphenyl)methyl]cyclobutane-1-carboxamide
CID 81171712
3-(aminomethyl)-N-[(4-methoxyphenyl)methyl]-N-methyloxetane-3-carboxamide
CID 115185698
1-amino-N-[2-(4-methoxyphenoxy)ethyl]-N-methylcyclobutane-1-carboxamide
CID 81173078
1-amino-N-[(3,4-difluorophenyl)methyl]-N-methylcyclopropane-1-carboxamide;hydrochloride
CID 119717238

Frequently Asked Questions

What is the IUPAC name of 1-amino-N-[(4-methoxyphenyl)methyl]-N-methylcyclopropane-1-carboxamide?
The IUPAC name of 1-amino-N-[(4-methoxyphenyl)methyl]-N-methylcyclopropane-1-carboxamide (CID 65465742) is 1-amino-N-[(4-methoxyphenyl)methyl]-N-methylcyclopropane-1-carboxamide.
What is the SMILES notation for 1-amino-N-[(4-methoxyphenyl)methyl]-N-methylcyclopropane-1-carboxamide?
The canonical SMILES for 1-amino-N-[(4-methoxyphenyl)methyl]-N-methylcyclopropane-1-carboxamide is COc1ccc(CN(C)C(=O)C2(N)CC2)cc1.
What is the InChIKey of 1-amino-N-[(4-methoxyphenyl)methyl]-N-methylcyclopropane-1-carboxamide?
The InChIKey is PHZYLQRCWPTLPY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N2O2/c1-15(12(16)13(14)7-8-13)9-10-3-5-11(17-2)6-4-10/h3-6H,7-9,14H2,1-2H3.
What are the key properties of 1-amino-N-[(4-methoxyphenyl)methyl]-N-methylcyclopropane-1-carboxamide?
1-amino-N-[(4-methoxyphenyl)methyl]-N-methylcyclopropane-1-carboxamide has a molecular weight of 234.30 g/mol, XLogP of 1.14, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-amino-N-[(4-methoxyphenyl)methyl]-N-methylcyclopropane-1-carboxamide is sourced from PubChem (CID 65465742), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).