1-amino-N-[2-hydroxy-2-(3-methoxyphenyl)ethyl]cyclopropane-1-carboxamide

C13H18N2O3 — CID 119765478

IUPAC1-amino-N-[2-hydroxy-2-(3-methoxyphenyl)ethyl]cyclopropane-1-carboxamide
SMILESCOc1cccc(C(O)CNC(=O)C2(N)CC2)c1
InChIInChI=1S/C13H18N2O3/c1-18-10-4-2-3-9(7-10)11(16)8-15-12(17)13(14)5-6-13/h2-4,7,11,16H,5-6,8,14H2,1H3,(H,15,17)
InChIKeyQLHCYDOMPKAHNH-UHFFFAOYSA-N
MW250.30 g/mol
LogP0.34
Rot. Bonds5

About 1-amino-N-[2-hydroxy-2-(3-methoxyphenyl)ethyl]cyclopropane-1-carboxamide

1-amino-N-[2-hydroxy-2-(3-methoxyphenyl)ethyl]cyclopropane-1-carboxamide (PubChem CID 119765478) has the molecular formula C13H18N2O3 and a molecular weight of 250.30 g/mol. Its IUPAC name is 1-amino-N-[2-hydroxy-2-(3-methoxyphenyl)ethyl]cyclopropane-1-carboxamide.

Molecular Properties

Compound Name1-amino-N-[2-hydroxy-2-(3-methoxyphenyl)ethyl]cyclopropane-1-carboxamide
PubChem CID119765478
Molecular FormulaC13H18N2O3
Molecular Weight250.30 g/mol
Exact Mass250.13
IUPAC Name1-amino-N-[2-hydroxy-2-(3-methoxyphenyl)ethyl]cyclopropane-1-carboxamide
SMILESCOc1cccc(C(O)CNC(=O)C2(N)CC2)c1
InChIInChI=1S/C13H18N2O3/c1-18-10-4-2-3-9(7-10)11(16)8-15-12(17)13(14)5-6-13/h2-4,7,11,16H,5-6,8,14H2,1H3,(H,15,17)
InChIKeyQLHCYDOMPKAHNH-UHFFFAOYSA-N
XLogP0.34
TPSA84.58 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.30
LogP ≤ 50.34
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

1-amino-N-[2-hydroxy-2-(3-propan-2-yloxyphenyl)ethyl]cyclopropane-1-carboxamide;hydrochloride
CID 119792524
methyl N-[2-hydroxy-2-(3-methoxyphenyl)ethyl]carbamate
CID 110663358
1-cyano-N-[2-hydroxy-2-(3-methoxyphenyl)ethyl]cyclobutane-1-carboxamide
CID 111434813
1-amino-N-[2-(diethylamino)-2-(3-methoxyphenyl)ethyl]cyclopropane-1-carboxamide;dihydrochloride
CID 119837675
1-amino-N-[2-(2,5-dimethoxyphenyl)-2-hydroxyethyl]cyclopropane-1-carboxamide
CID 119719575
1-amino-N-[2-hydroxy-2-(4-methoxyphenyl)ethyl]cyclohexane-1-carboxamide;hydrochloride
CID 119293242
N-[2-hydroxy-2-(3-methoxyphenyl)ethyl]butanamide
CID 112510090
N-[2-hydroxy-2-(3-methoxyphenyl)ethyl]-2-(methylamino)acetamide
CID 119765490
N-[2-hydroxy-2-(3-methoxyphenyl)ethyl]-2-(4-methylphenyl)acetamide
CID 110663377
1-(cyclopropylmethyl)-3-[2-hydroxy-2-(3-methoxyphenyl)ethyl]urea
CID 111115133
1-amino-N-[2-(3-methoxyphenyl)ethyl]cyclopropane-1-carboxamide;hydrochloride
CID 119711038
1-amino-N-[3-(3-methoxyphenyl)propyl]cyclopropane-1-carboxamide
CID 119772031

Frequently Asked Questions

What is the IUPAC name of 1-amino-N-[2-hydroxy-2-(3-methoxyphenyl)ethyl]cyclopropane-1-carboxamide?
The IUPAC name of 1-amino-N-[2-hydroxy-2-(3-methoxyphenyl)ethyl]cyclopropane-1-carboxamide (CID 119765478) is 1-amino-N-[2-hydroxy-2-(3-methoxyphenyl)ethyl]cyclopropane-1-carboxamide.
What is the SMILES notation for 1-amino-N-[2-hydroxy-2-(3-methoxyphenyl)ethyl]cyclopropane-1-carboxamide?
The canonical SMILES for 1-amino-N-[2-hydroxy-2-(3-methoxyphenyl)ethyl]cyclopropane-1-carboxamide is COc1cccc(C(O)CNC(=O)C2(N)CC2)c1.
What is the InChIKey of 1-amino-N-[2-hydroxy-2-(3-methoxyphenyl)ethyl]cyclopropane-1-carboxamide?
The InChIKey is QLHCYDOMPKAHNH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N2O3/c1-18-10-4-2-3-9(7-10)11(16)8-15-12(17)13(14)5-6-13/h2-4,7,11,16H,5-6,8,14H2,1H3,(H,15,17).
What are the key properties of 1-amino-N-[2-hydroxy-2-(3-methoxyphenyl)ethyl]cyclopropane-1-carboxamide?
1-amino-N-[2-hydroxy-2-(3-methoxyphenyl)ethyl]cyclopropane-1-carboxamide has a molecular weight of 250.30 g/mol, XLogP of 0.34, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-amino-N-[2-hydroxy-2-(3-methoxyphenyl)ethyl]cyclopropane-1-carboxamide is sourced from PubChem (CID 119765478), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).