4-ethyl-N-[1-(3-methoxyanilino)-3-methyl-1-oxobutan-2-yl]cyclohexane-1-carboxamide

C21H32N2O3 — CID 15987920

IUPAC4-ethyl-N-[1-(3-methoxyanilino)-3-methyl-1-oxobutan-2-yl]cyclohexane-1-carboxamide
SMILESCCC1CCC(C(=O)NC(C(=O)Nc2cccc(OC)c2)C(C)C)CC1
InChIInChI=1S/C21H32N2O3/c1-5-15-9-11-16(12-10-15)20(24)23-19(14(2)3)21(25)22-17-7-6-8-18(13-17)26-4/h6-8,13-16,19H,5,9-12H2,1-4H3,(H,22,25)(H,23,24)
InChIKeyQRAUTWUTFWCRMD-UHFFFAOYSA-N
MW360.50 g/mol
LogP3.99
Rot. Bonds7

About 4-ethyl-N-[1-(3-methoxyanilino)-3-methyl-1-oxobutan-2-yl]cyclohexane-1-carboxamide

4-ethyl-N-[1-(3-methoxyanilino)-3-methyl-1-oxobutan-2-yl]cyclohexane-1-carboxamide (PubChem CID 15987920) has the molecular formula C21H32N2O3 and a molecular weight of 360.50 g/mol. Its IUPAC name is 4-ethyl-N-[1-(3-methoxyanilino)-3-methyl-1-oxobutan-2-yl]cyclohexane-1-carboxamide.

Molecular Properties

Compound Name4-ethyl-N-[1-(3-methoxyanilino)-3-methyl-1-oxobutan-2-yl]cyclohexane-1-carboxamide
PubChem CID15987920
Molecular FormulaC21H32N2O3
Molecular Weight360.50 g/mol
Exact Mass360.24
IUPAC Name4-ethyl-N-[1-(3-methoxyanilino)-3-methyl-1-oxobutan-2-yl]cyclohexane-1-carboxamide
SMILESCCC1CCC(C(=O)NC(C(=O)Nc2cccc(OC)c2)C(C)C)CC1
InChIInChI=1S/C21H32N2O3/c1-5-15-9-11-16(12-10-15)20(24)23-19(14(2)3)21(25)22-17-7-6-8-18(13-17)26-4/h6-8,13-16,19H,5,9-12H2,1-4H3,(H,22,25)(H,23,24)
InChIKeyQRAUTWUTFWCRMD-UHFFFAOYSA-N
XLogP3.99
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.50
LogP ≤ 53.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-ethyl-N-[1-(3-methoxyanilino)-3-methyl-1-oxobutan-2-yl]cyclohexane-1-carboxamide?
The IUPAC name of 4-ethyl-N-[1-(3-methoxyanilino)-3-methyl-1-oxobutan-2-yl]cyclohexane-1-carboxamide (CID 15987920) is 4-ethyl-N-[1-(3-methoxyanilino)-3-methyl-1-oxobutan-2-yl]cyclohexane-1-carboxamide.
What is the SMILES notation for 4-ethyl-N-[1-(3-methoxyanilino)-3-methyl-1-oxobutan-2-yl]cyclohexane-1-carboxamide?
The canonical SMILES for 4-ethyl-N-[1-(3-methoxyanilino)-3-methyl-1-oxobutan-2-yl]cyclohexane-1-carboxamide is CCC1CCC(C(=O)NC(C(=O)Nc2cccc(OC)c2)C(C)C)CC1.
What is the InChIKey of 4-ethyl-N-[1-(3-methoxyanilino)-3-methyl-1-oxobutan-2-yl]cyclohexane-1-carboxamide?
The InChIKey is QRAUTWUTFWCRMD-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H32N2O3/c1-5-15-9-11-16(12-10-15)20(24)23-19(14(2)3)21(25)22-17-7-6-8-18(13-17)26-4/h6-8,13-16,19H,5,9-12H2,1-4H3,(H,22,25)(H,23,24).
What are the key properties of 4-ethyl-N-[1-(3-methoxyanilino)-3-methyl-1-oxobutan-2-yl]cyclohexane-1-carboxamide?
4-ethyl-N-[1-(3-methoxyanilino)-3-methyl-1-oxobutan-2-yl]cyclohexane-1-carboxamide has a molecular weight of 360.50 g/mol, XLogP of 3.99, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethyl-N-[1-(3-methoxyanilino)-3-methyl-1-oxobutan-2-yl]cyclohexane-1-carboxamide is sourced from PubChem (CID 15987920), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).