N-ethyl-N-[2-(3-methoxyanilino)-2-oxoethyl]-1-phenylcyclopentane-1-carboxamide

C23H28N2O3 — CID 112768106

IUPACN-ethyl-N-[2-(3-methoxyanilino)-2-oxoethyl]-1-phenylcyclopentane-1-carboxamide
SMILESCCN(CC(=O)Nc1cccc(OC)c1)C(=O)C1(c2ccccc2)CCCC1
InChIInChI=1S/C23H28N2O3/c1-3-25(17-21(26)24-19-12-9-13-20(16-19)28-2)22(27)23(14-7-8-15-23)18-10-5-4-6-11-18/h4-6,9-13,16H,3,7-8,14-15,17H2,1-2H3,(H,24,26)
InChIKeyLMTBESRHDHFSDD-UHFFFAOYSA-N
MW380.49 g/mol
LogP3.99
Rot. Bonds7

About N-ethyl-N-[2-(3-methoxyanilino)-2-oxoethyl]-1-phenylcyclopentane-1-carboxamide

N-ethyl-N-[2-(3-methoxyanilino)-2-oxoethyl]-1-phenylcyclopentane-1-carboxamide (PubChem CID 112768106) has the molecular formula C23H28N2O3 and a molecular weight of 380.49 g/mol. Its IUPAC name is N-ethyl-N-[2-(3-methoxyanilino)-2-oxoethyl]-1-phenylcyclopentane-1-carboxamide.

Molecular Properties

Compound NameN-ethyl-N-[2-(3-methoxyanilino)-2-oxoethyl]-1-phenylcyclopentane-1-carboxamide
PubChem CID112768106
Molecular FormulaC23H28N2O3
Molecular Weight380.49 g/mol
Exact Mass380.21
IUPAC NameN-ethyl-N-[2-(3-methoxyanilino)-2-oxoethyl]-1-phenylcyclopentane-1-carboxamide
SMILESCCN(CC(=O)Nc1cccc(OC)c1)C(=O)C1(c2ccccc2)CCCC1
InChIInChI=1S/C23H28N2O3/c1-3-25(17-21(26)24-19-12-9-13-20(16-19)28-2)22(27)23(14-7-8-15-23)18-10-5-4-6-11-18/h4-6,9-13,16H,3,7-8,14-15,17H2,1-2H3,(H,24,26)
InChIKeyLMTBESRHDHFSDD-UHFFFAOYSA-N
XLogP3.99
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.49
LogP ≤ 53.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-amino-N-ethyl-N-[2-(3-methoxyanilino)-2-oxoethyl]cyclopropane-1-carboxamide
CID 119729055
N-(3-methoxyphenyl)-1-phenylcyclopentane-1-carboxamide
CID 1455676
N-ethyl-N-[2-(3-methoxyanilino)-2-oxoethyl]propanamide
CID 43011197
2-[ethyl-(2-phenoxyacetyl)amino]-N-(3-methoxyphenyl)acetamide
CID 9094787
2-(N-ethylanilino)-N-(3-methoxyphenyl)acetamide
CID 51159812
N-ethyl-N-[2-(3-methoxyanilino)-2-oxoethyl]-3,3-dimethylbutanamide
CID 43011201
N-ethyl-N-[2-(3-methoxyanilino)-2-oxoethyl]thiophene-2-carboxamide
CID 26353614
2-[[2-(2-ethoxyphenoxy)acetyl]-ethylamino]-N-(3-methoxyphenyl)acetamide
CID 7958649
methyl 2-[ethyl-[2-(3-methoxyanilino)-2-oxoethyl]amino]acetate
CID 60674332
2-[acetyl(benzyl)amino]-N-(3-methoxyphenyl)acetamide
CID 113161287
4-chloro-N-ethyl-N-[2-(3-methoxyanilino)-2-oxoethyl]benzamide
CID 7958626
N-ethyl-N-[2-(3-methoxyanilino)-2-oxoethyl]oxane-4-carboxamide
CID 30839706

Frequently Asked Questions

What is the IUPAC name of N-ethyl-N-[2-(3-methoxyanilino)-2-oxoethyl]-1-phenylcyclopentane-1-carboxamide?
The IUPAC name of N-ethyl-N-[2-(3-methoxyanilino)-2-oxoethyl]-1-phenylcyclopentane-1-carboxamide (CID 112768106) is N-ethyl-N-[2-(3-methoxyanilino)-2-oxoethyl]-1-phenylcyclopentane-1-carboxamide.
What is the SMILES notation for N-ethyl-N-[2-(3-methoxyanilino)-2-oxoethyl]-1-phenylcyclopentane-1-carboxamide?
The canonical SMILES for N-ethyl-N-[2-(3-methoxyanilino)-2-oxoethyl]-1-phenylcyclopentane-1-carboxamide is CCN(CC(=O)Nc1cccc(OC)c1)C(=O)C1(c2ccccc2)CCCC1.
What is the InChIKey of N-ethyl-N-[2-(3-methoxyanilino)-2-oxoethyl]-1-phenylcyclopentane-1-carboxamide?
The InChIKey is LMTBESRHDHFSDD-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H28N2O3/c1-3-25(17-21(26)24-19-12-9-13-20(16-19)28-2)22(27)23(14-7-8-15-23)18-10-5-4-6-11-18/h4-6,9-13,16H,3,7-8,14-15,17H2,1-2H3,(H,24,26).
What are the key properties of N-ethyl-N-[2-(3-methoxyanilino)-2-oxoethyl]-1-phenylcyclopentane-1-carboxamide?
N-ethyl-N-[2-(3-methoxyanilino)-2-oxoethyl]-1-phenylcyclopentane-1-carboxamide has a molecular weight of 380.49 g/mol, XLogP of 3.99, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-N-[2-(3-methoxyanilino)-2-oxoethyl]-1-phenylcyclopentane-1-carboxamide is sourced from PubChem (CID 112768106), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).