1-[3-amino-2-(4-ethylphenyl)-3-oxopropyl]-N-[(2-chlorophenyl)methyl]cyclopropane-1-carboxamide

C22H25ClN2O2 — CID 140526672

IUPAC1-[3-amino-2-(4-ethylphenyl)-3-oxopropyl]-N-[(2-chlorophenyl)methyl]cyclopropane-1-carboxamide
SMILESCCc1ccc(C(CC2(C(=O)NCc3ccccc3Cl)CC2)C(N)=O)cc1
InChIInChI=1S/C22H25ClN2O2/c1-2-15-7-9-16(10-8-15)18(20(24)26)13-22(11-12-22)21(27)25-14-17-5-3-4-6-19(17)23/h3-10,18H,2,11-14H2,1H3,(H2,24,26)(H,25,27)
InChIKeyCYZXHTRYHPVEKP-UHFFFAOYSA-N
MW384.91 g/mol
LogP3.96
Rot. Bonds8

About 1-[3-amino-2-(4-ethylphenyl)-3-oxopropyl]-N-[(2-chlorophenyl)methyl]cyclopropane-1-carboxamide

1-[3-amino-2-(4-ethylphenyl)-3-oxopropyl]-N-[(2-chlorophenyl)methyl]cyclopropane-1-carboxamide (PubChem CID 140526672) has the molecular formula C22H25ClN2O2 and a molecular weight of 384.91 g/mol. Its IUPAC name is 1-[3-amino-2-(4-ethylphenyl)-3-oxopropyl]-N-[(2-chlorophenyl)methyl]cyclopropane-1-carboxamide.

Molecular Properties

Compound Name1-[3-amino-2-(4-ethylphenyl)-3-oxopropyl]-N-[(2-chlorophenyl)methyl]cyclopropane-1-carboxamide
PubChem CID140526672
Molecular FormulaC22H25ClN2O2
Molecular Weight384.91 g/mol
Exact Mass384.16
IUPAC Name1-[3-amino-2-(4-ethylphenyl)-3-oxopropyl]-N-[(2-chlorophenyl)methyl]cyclopropane-1-carboxamide
SMILESCCc1ccc(C(CC2(C(=O)NCc3ccccc3Cl)CC2)C(N)=O)cc1
InChIInChI=1S/C22H25ClN2O2/c1-2-15-7-9-16(10-8-15)18(20(24)26)13-22(11-12-22)21(27)25-14-17-5-3-4-6-19(17)23/h3-10,18H,2,11-14H2,1H3,(H2,24,26)(H,25,27)
InChIKeyCYZXHTRYHPVEKP-UHFFFAOYSA-N
XLogP3.96
TPSA72.19 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.91
LogP ≤ 53.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-[(2-chlorophenyl)methyl]-4-ethylpiperidine-4-carboxamide
CID 63127175
1-(aminomethyl)-N-[(2-chlorophenyl)methyl]cyclopentane-1-carboxamide
CID 81484979
2-[1-(2-aminoacetyl)-4-[(2-chlorophenyl)methylcarbamoyl]piperidin-4-yl]ethyl N-(4-ethylphenyl)carbamate
CID 59778578
N-[(2-chlorophenyl)methyl]-1-[[5-(4-ethylphenyl)tetrazol-2-yl]methyl]cyclopent-3-ene-1-carboxamide
CID 59738311
N-[(2-chlorophenyl)methyl]-2-(4-ethylanilino)acetamide
CID 108998040
[4-[(2-chlorophenyl)methylcarbamoyl]-1-(pyridine-3-carbonyl)piperidin-4-yl]methyl N-(4-ethylphenyl)carbamate
CID 59778503
N-[(2-chlorophenyl)methyl]-1-[(E)-N'-hydroxycarbamimidoyl]cyclobutane-1-carboxamide
CID 80591093
1-N'-[(2-chlorophenyl)methyl]-1-N-(3-methylbutyl)cyclopropane-1,1-dicarboxamide
CID 108975947
tert-butyl N-[1-[4-[(2-chlorophenyl)methylcarbamoyl]-4-[(4-ethylphenyl)carbamoyloxymethyl]piperidin-1-yl]-3-hydroxy-1-oxopropan-2-yl]carbamate
CID 59778424
[1-butanoyl-4-[(2-chlorophenyl)methylcarbamoyl]piperidin-4-yl]methyl N-(4-ethylphenyl)-N-[(2-methylpropan-2-yl)oxycarbamoyl]carbamate
CID 91330609
1-[(2-chlorophenyl)methyl]-3-[(4-methylphenyl)methyl]urea
CID 47133587
(Z)-3-amino-2-[(2-chlorophenyl)methylamino]but-2-enoic acid
CID 143054332

Frequently Asked Questions

What is the IUPAC name of 1-[3-amino-2-(4-ethylphenyl)-3-oxopropyl]-N-[(2-chlorophenyl)methyl]cyclopropane-1-carboxamide?
The IUPAC name of 1-[3-amino-2-(4-ethylphenyl)-3-oxopropyl]-N-[(2-chlorophenyl)methyl]cyclopropane-1-carboxamide (CID 140526672) is 1-[3-amino-2-(4-ethylphenyl)-3-oxopropyl]-N-[(2-chlorophenyl)methyl]cyclopropane-1-carboxamide.
What is the SMILES notation for 1-[3-amino-2-(4-ethylphenyl)-3-oxopropyl]-N-[(2-chlorophenyl)methyl]cyclopropane-1-carboxamide?
The canonical SMILES for 1-[3-amino-2-(4-ethylphenyl)-3-oxopropyl]-N-[(2-chlorophenyl)methyl]cyclopropane-1-carboxamide is CCc1ccc(C(CC2(C(=O)NCc3ccccc3Cl)CC2)C(N)=O)cc1.
What is the InChIKey of 1-[3-amino-2-(4-ethylphenyl)-3-oxopropyl]-N-[(2-chlorophenyl)methyl]cyclopropane-1-carboxamide?
The InChIKey is CYZXHTRYHPVEKP-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25ClN2O2/c1-2-15-7-9-16(10-8-15)18(20(24)26)13-22(11-12-22)21(27)25-14-17-5-3-4-6-19(17)23/h3-10,18H,2,11-14H2,1H3,(H2,24,26)(H,25,27).
What are the key properties of 1-[3-amino-2-(4-ethylphenyl)-3-oxopropyl]-N-[(2-chlorophenyl)methyl]cyclopropane-1-carboxamide?
1-[3-amino-2-(4-ethylphenyl)-3-oxopropyl]-N-[(2-chlorophenyl)methyl]cyclopropane-1-carboxamide has a molecular weight of 384.91 g/mol, XLogP of 3.96, 8 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-amino-2-(4-ethylphenyl)-3-oxopropyl]-N-[(2-chlorophenyl)methyl]cyclopropane-1-carboxamide is sourced from PubChem (CID 140526672), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).