1-amino-N-[2-(2,5-dimethoxyphenyl)-2-hydroxyethyl]cyclopropane-1-carboxamide

C14H20N2O4 — CID 119719575

IUPAC1-amino-N-[2-(2,5-dimethoxyphenyl)-2-hydroxyethyl]cyclopropane-1-carboxamide
SMILESCOc1ccc(OC)c(C(O)CNC(=O)C2(N)CC2)c1
InChIInChI=1S/C14H20N2O4/c1-19-9-3-4-12(20-2)10(7-9)11(17)8-16-13(18)14(15)5-6-14/h3-4,7,11,17H,5-6,8,15H2,1-2H3,(H,16,18)
InChIKeyJLFHVRDAGNYBSZ-UHFFFAOYSA-N
MW280.32 g/mol
LogP0.34
Rot. Bonds6

About 1-amino-N-[2-(2,5-dimethoxyphenyl)-2-hydroxyethyl]cyclopropane-1-carboxamide

1-amino-N-[2-(2,5-dimethoxyphenyl)-2-hydroxyethyl]cyclopropane-1-carboxamide (PubChem CID 119719575) has the molecular formula C14H20N2O4 and a molecular weight of 280.32 g/mol. Its IUPAC name is 1-amino-N-[2-(2,5-dimethoxyphenyl)-2-hydroxyethyl]cyclopropane-1-carboxamide.

Molecular Properties

Compound Name1-amino-N-[2-(2,5-dimethoxyphenyl)-2-hydroxyethyl]cyclopropane-1-carboxamide
PubChem CID119719575
Molecular FormulaC14H20N2O4
Molecular Weight280.32 g/mol
Exact Mass280.14
IUPAC Name1-amino-N-[2-(2,5-dimethoxyphenyl)-2-hydroxyethyl]cyclopropane-1-carboxamide
SMILESCOc1ccc(OC)c(C(O)CNC(=O)C2(N)CC2)c1
InChIInChI=1S/C14H20N2O4/c1-19-9-3-4-12(20-2)10(7-9)11(17)8-16-13(18)14(15)5-6-14/h3-4,7,11,17H,5-6,8,15H2,1-2H3,(H,16,18)
InChIKeyJLFHVRDAGNYBSZ-UHFFFAOYSA-N
XLogP0.34
TPSA93.81 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.32
LogP ≤ 50.34
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

N-[(2S)-2-(2,5-dimethoxyphenyl)-2-hydroxyethyl]-1-phenylcyclopropane-1-carboxamide
CID 95382656
2-bromo-N-[2-(2,5-dimethoxyphenyl)-2-hydroxyethyl]acetamide
CID 139669776
1-amino-N-[2-hydroxy-2-(3-methoxyphenyl)ethyl]cyclopropane-1-carboxamide
CID 119765478
(2S)-2-amino-N-[2-(2,5-dimethoxyphenyl)-2-hydroxyethyl]propanamide;hydrochloride
CID 119287235
2-amino-N-[2-(2,5-dimethoxyphenyl)-2-hydroxyethyl]acetamide;2,3-dihydroxybutanedioic acid
CID 138544619
N-[2-(2,5-dimethoxyphenyl)-2-hydroxyethyl]piperidine-4-carboxamide
CID 119287242
1-[2-(2,5-dimethoxyphenyl)-2-hydroxyethyl]-3-[(1-phenylcyclopentyl)methyl]urea
CID 78882665
1-amino-N-[2-hydroxy-2-(4-methoxyphenyl)ethyl]cyclohexane-1-carboxamide;hydrochloride
CID 119293242
1-amino-N-[2-(2,5-dimethoxyphenyl)ethyl]cyclopropane-1-carboxamide;hydrochloride
CID 119705593
2-amino-N-[2-[2,5-bis(trideuteriomethoxy)phenyl]-2-hydroxyethyl]acetamide
CID 45359029
1-amino-N-[1-(2,4-dimethoxyphenyl)ethyl]cyclopropane-1-carboxamide
CID 65465281
1-[(2S)-2-(2,5-dimethoxyphenyl)-2-hydroxyethyl]-3-(4-propan-2-ylphenyl)urea
CID 51944364

Frequently Asked Questions

What is the IUPAC name of 1-amino-N-[2-(2,5-dimethoxyphenyl)-2-hydroxyethyl]cyclopropane-1-carboxamide?
The IUPAC name of 1-amino-N-[2-(2,5-dimethoxyphenyl)-2-hydroxyethyl]cyclopropane-1-carboxamide (CID 119719575) is 1-amino-N-[2-(2,5-dimethoxyphenyl)-2-hydroxyethyl]cyclopropane-1-carboxamide.
What is the SMILES notation for 1-amino-N-[2-(2,5-dimethoxyphenyl)-2-hydroxyethyl]cyclopropane-1-carboxamide?
The canonical SMILES for 1-amino-N-[2-(2,5-dimethoxyphenyl)-2-hydroxyethyl]cyclopropane-1-carboxamide is COc1ccc(OC)c(C(O)CNC(=O)C2(N)CC2)c1.
What is the InChIKey of 1-amino-N-[2-(2,5-dimethoxyphenyl)-2-hydroxyethyl]cyclopropane-1-carboxamide?
The InChIKey is JLFHVRDAGNYBSZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2O4/c1-19-9-3-4-12(20-2)10(7-9)11(17)8-16-13(18)14(15)5-6-14/h3-4,7,11,17H,5-6,8,15H2,1-2H3,(H,16,18).
What are the key properties of 1-amino-N-[2-(2,5-dimethoxyphenyl)-2-hydroxyethyl]cyclopropane-1-carboxamide?
1-amino-N-[2-(2,5-dimethoxyphenyl)-2-hydroxyethyl]cyclopropane-1-carboxamide has a molecular weight of 280.32 g/mol, XLogP of 0.34, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-amino-N-[2-(2,5-dimethoxyphenyl)-2-hydroxyethyl]cyclopropane-1-carboxamide is sourced from PubChem (CID 119719575), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).