1-amino-N-[2-(2,5-dimethoxyphenyl)ethyl]cyclopropane-1-carboxamide;hydrochloride

C14H21ClN2O3 — CID 119705593

IUPAC1-amino-N-[2-(2,5-dimethoxyphenyl)ethyl]cyclopropane-1-carboxamide;hydrochloride
SMILESCOc1ccc(OC)c(CCNC(=O)C2(N)CC2)c1.Cl
InChIInChI=1S/C14H20N2O3.ClH/c1-18-11-3-4-12(19-2)10(9-11)5-8-16-13(17)14(15)6-7-14;/h3-4,9H,5-8,15H2,1-2H3,(H,16,17);1H
InChIKeyGRKQKHFUYMEABO-UHFFFAOYSA-N
MW300.79 g/mol
LogP1.28
Rot. Bonds6

About 1-amino-N-[2-(2,5-dimethoxyphenyl)ethyl]cyclopropane-1-carboxamide;hydrochloride

1-amino-N-[2-(2,5-dimethoxyphenyl)ethyl]cyclopropane-1-carboxamide;hydrochloride (PubChem CID 119705593) has the molecular formula C14H21ClN2O3 and a molecular weight of 300.79 g/mol. Its IUPAC name is 1-amino-N-[2-(2,5-dimethoxyphenyl)ethyl]cyclopropane-1-carboxamide;hydrochloride.

Molecular Properties

Compound Name1-amino-N-[2-(2,5-dimethoxyphenyl)ethyl]cyclopropane-1-carboxamide;hydrochloride
PubChem CID119705593
Molecular FormulaC14H21ClN2O3
Molecular Weight300.79 g/mol
Exact Mass300.12
IUPAC Name1-amino-N-[2-(2,5-dimethoxyphenyl)ethyl]cyclopropane-1-carboxamide;hydrochloride
SMILESCOc1ccc(OC)c(CCNC(=O)C2(N)CC2)c1.Cl
InChIInChI=1S/C14H20N2O3.ClH/c1-18-11-3-4-12(19-2)10(9-11)5-8-16-13(17)14(15)6-7-14;/h3-4,9H,5-8,15H2,1-2H3,(H,16,17);1H
InChIKeyGRKQKHFUYMEABO-UHFFFAOYSA-N
XLogP1.28
TPSA73.58 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.79
LogP ≤ 51.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-amino-N-[2-(2,5-dimethoxyphenyl)ethyl]cyclohexane-1-carboxamide;hydrochloride
CID 119279781
(2S)-2-amino-N-[2-(2,5-dimethoxyphenyl)ethyl]propanamide;hydrochloride
CID 119279764
1-amino-N-[2-(3,4-dimethoxyphenyl)ethyl]cyclopropane-1-carboxamide
CID 65466544
1-amino-N-[2-(3-methoxyphenyl)ethyl]cyclopropane-1-carboxamide;hydrochloride
CID 119711038
4-amino-N-[(2,5-dimethoxyphenyl)methyl]oxane-4-carboxamide
CID 115294665
1-amino-N-[2-(4-methoxy-3-methylphenyl)ethyl]cyclopropane-1-carboxamide
CID 115189923
N-[2-(2,5-dimethoxyphenyl)ethyl]-1,2-thiazole-5-carboxamide
CID 110692153
4-(aminomethyl)-N-[2-(2,5-dimethoxyphenyl)ethyl]benzamide
CID 119279771
1-amino-N-[3-(3-methoxyphenyl)propyl]cyclopentane-1-carboxamide;hydrochloride
CID 119316878
1-amino-N-[2-(2,5-dimethoxyphenyl)-2-hydroxyethyl]cyclopropane-1-carboxamide
CID 119719575
1-[2-(2,5-dimethoxyphenyl)ethyl]-3-(2-oxo-2-pyrrolidin-1-ylethyl)urea
CID 47070585
ethyl 2-[2-(2,5-dimethoxyphenyl)ethylamino]acetate
CID 115257468

Frequently Asked Questions

What is the IUPAC name of 1-amino-N-[2-(2,5-dimethoxyphenyl)ethyl]cyclopropane-1-carboxamide;hydrochloride?
The IUPAC name of 1-amino-N-[2-(2,5-dimethoxyphenyl)ethyl]cyclopropane-1-carboxamide;hydrochloride (CID 119705593) is 1-amino-N-[2-(2,5-dimethoxyphenyl)ethyl]cyclopropane-1-carboxamide;hydrochloride.
What is the SMILES notation for 1-amino-N-[2-(2,5-dimethoxyphenyl)ethyl]cyclopropane-1-carboxamide;hydrochloride?
The canonical SMILES for 1-amino-N-[2-(2,5-dimethoxyphenyl)ethyl]cyclopropane-1-carboxamide;hydrochloride is COc1ccc(OC)c(CCNC(=O)C2(N)CC2)c1.Cl.
What is the InChIKey of 1-amino-N-[2-(2,5-dimethoxyphenyl)ethyl]cyclopropane-1-carboxamide;hydrochloride?
The InChIKey is GRKQKHFUYMEABO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2O3.ClH/c1-18-11-3-4-12(19-2)10(9-11)5-8-16-13(17)14(15)6-7-14;/h3-4,9H,5-8,15H2,1-2H3,(H,16,17);1H.
What are the key properties of 1-amino-N-[2-(2,5-dimethoxyphenyl)ethyl]cyclopropane-1-carboxamide;hydrochloride?
1-amino-N-[2-(2,5-dimethoxyphenyl)ethyl]cyclopropane-1-carboxamide;hydrochloride has a molecular weight of 300.79 g/mol, XLogP of 1.28, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-amino-N-[2-(2,5-dimethoxyphenyl)ethyl]cyclopropane-1-carboxamide;hydrochloride is sourced from PubChem (CID 119705593), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).