1-(4-chlorophenyl)-N-[(3,4-dimethoxyphenyl)methyl]-N-ethylcyclopropane-1-carboxamide

C21H24ClNO3 — CID 33183109

IUPAC1-(4-chlorophenyl)-N-[(3,4-dimethoxyphenyl)methyl]-N-ethylcyclopropane-1-carboxamide
SMILESCCN(Cc1ccc(OC)c(OC)c1)C(=O)C1(c2ccc(Cl)cc2)CC1
InChIInChI=1S/C21H24ClNO3/c1-4-23(14-15-5-10-18(25-2)19(13-15)26-3)20(24)21(11-12-21)16-6-8-17(22)9-7-16/h5-10,13H,4,11-12,14H2,1-3H3
InChIKeyLEOUHISHVVFVTA-UHFFFAOYSA-N
MW373.88 g/mol
LogP4.44
Rot. Bonds7

About 1-(4-chlorophenyl)-N-[(3,4-dimethoxyphenyl)methyl]-N-ethylcyclopropane-1-carboxamide

1-(4-chlorophenyl)-N-[(3,4-dimethoxyphenyl)methyl]-N-ethylcyclopropane-1-carboxamide (PubChem CID 33183109) has the molecular formula C21H24ClNO3 and a molecular weight of 373.88 g/mol. Its IUPAC name is 1-(4-chlorophenyl)-N-[(3,4-dimethoxyphenyl)methyl]-N-ethylcyclopropane-1-carboxamide.

Molecular Properties

Compound Name1-(4-chlorophenyl)-N-[(3,4-dimethoxyphenyl)methyl]-N-ethylcyclopropane-1-carboxamide
PubChem CID33183109
Molecular FormulaC21H24ClNO3
Molecular Weight373.88 g/mol
Exact Mass373.14
IUPAC Name1-(4-chlorophenyl)-N-[(3,4-dimethoxyphenyl)methyl]-N-ethylcyclopropane-1-carboxamide
SMILESCCN(Cc1ccc(OC)c(OC)c1)C(=O)C1(c2ccc(Cl)cc2)CC1
InChIInChI=1S/C21H24ClNO3/c1-4-23(14-15-5-10-18(25-2)19(13-15)26-3)20(24)21(11-12-21)16-6-8-17(22)9-7-16/h5-10,13H,4,11-12,14H2,1-3H3
InChIKeyLEOUHISHVVFVTA-UHFFFAOYSA-N
XLogP4.44
TPSA38.77 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.88
LogP ≤ 54.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-(4-chlorophenyl)-N-ethyl-N-(2-hydroxyethyl)cyclopropane-1-carboxamide
CID 60653694
2-(2,5-dichlorophenoxy)-N-[(3,4-dimethoxyphenyl)methyl]-N-ethylacetamide
CID 55398454
1-(4-chlorophenyl)-N-[(4-chlorophenyl)methyl]-N-methylcyclopropane-1-carboxamide
CID 112790191
[2-[(3,4-dimethoxyphenyl)methyl-ethylamino]-2-oxoethyl] (E)-3-(4-chlorophenyl)prop-2-enoate
CID 9018624
3-cyclopropyl-1-[(3,4-dimethoxyphenyl)methyl]-1-ethylurea
CID 86916160
4-chloro-N-[(3,4-dimethoxyphenyl)methyl]-N-ethylbenzenesulfonamide
CID 8801231
2-acetamido-N-[(3,4-dimethoxyphenyl)methyl]-N-ethylpropanamide
CID 86906891
2-(2-chlorophenyl)-N-[(3,4-dimethoxyphenyl)methyl]-N-ethylcyclopropane-1-carboxamide
CID 51292234
3-(5-chlorothiophen-2-yl)-N-[(3,4-dimethoxyphenyl)methyl]-N-ethyl-4,5-dihydro-1,2-oxazole-5-carboxamide
CID 55876165
N-[(3,4-dimethoxyphenyl)methyl]-N-ethyl-3-phenylpropanamide
CID 78808087
N-[(3,4-dimethoxyphenyl)methyl]-2-(4-ethoxyphenyl)-N-ethylacetamide
CID 78808317
N-[(3,4-dimethoxyphenyl)methyl]-N-ethylthiophene-3-carboxamide
CID 78808460

Frequently Asked Questions

What is the IUPAC name of 1-(4-chlorophenyl)-N-[(3,4-dimethoxyphenyl)methyl]-N-ethylcyclopropane-1-carboxamide?
The IUPAC name of 1-(4-chlorophenyl)-N-[(3,4-dimethoxyphenyl)methyl]-N-ethylcyclopropane-1-carboxamide (CID 33183109) is 1-(4-chlorophenyl)-N-[(3,4-dimethoxyphenyl)methyl]-N-ethylcyclopropane-1-carboxamide.
What is the SMILES notation for 1-(4-chlorophenyl)-N-[(3,4-dimethoxyphenyl)methyl]-N-ethylcyclopropane-1-carboxamide?
The canonical SMILES for 1-(4-chlorophenyl)-N-[(3,4-dimethoxyphenyl)methyl]-N-ethylcyclopropane-1-carboxamide is CCN(Cc1ccc(OC)c(OC)c1)C(=O)C1(c2ccc(Cl)cc2)CC1.
What is the InChIKey of 1-(4-chlorophenyl)-N-[(3,4-dimethoxyphenyl)methyl]-N-ethylcyclopropane-1-carboxamide?
The InChIKey is LEOUHISHVVFVTA-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24ClNO3/c1-4-23(14-15-5-10-18(25-2)19(13-15)26-3)20(24)21(11-12-21)16-6-8-17(22)9-7-16/h5-10,13H,4,11-12,14H2,1-3H3.
What are the key properties of 1-(4-chlorophenyl)-N-[(3,4-dimethoxyphenyl)methyl]-N-ethylcyclopropane-1-carboxamide?
1-(4-chlorophenyl)-N-[(3,4-dimethoxyphenyl)methyl]-N-ethylcyclopropane-1-carboxamide has a molecular weight of 373.88 g/mol, XLogP of 4.44, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-chlorophenyl)-N-[(3,4-dimethoxyphenyl)methyl]-N-ethylcyclopropane-1-carboxamide is sourced from PubChem (CID 33183109), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).