N-[1-(3-ethylanilino)-3-methyl-1-oxobutan-2-yl]-4-methylcyclohexane-1-carboxamide

C21H32N2O2 — CID 3681930

IUPACN-[1-(3-ethylanilino)-3-methyl-1-oxobutan-2-yl]-4-methylcyclohexane-1-carboxamide
SMILESCCc1cccc(NC(=O)C(NC(=O)C2CCC(C)CC2)C(C)C)c1
InChIInChI=1S/C21H32N2O2/c1-5-16-7-6-8-18(13-16)22-21(25)19(14(2)3)23-20(24)17-11-9-15(4)10-12-17/h6-8,13-15,17,19H,5,9-12H2,1-4H3,(H,22,25)(H,23,24)
InChIKeyOEEUDXNMUZTEFV-UHFFFAOYSA-N
MW344.50 g/mol
LogP4.15
Rot. Bonds6

About N-[1-(3-ethylanilino)-3-methyl-1-oxobutan-2-yl]-4-methylcyclohexane-1-carboxamide

N-[1-(3-ethylanilino)-3-methyl-1-oxobutan-2-yl]-4-methylcyclohexane-1-carboxamide (PubChem CID 3681930) has the molecular formula C21H32N2O2 and a molecular weight of 344.50 g/mol. Its IUPAC name is N-[1-(3-ethylanilino)-3-methyl-1-oxobutan-2-yl]-4-methylcyclohexane-1-carboxamide.

Molecular Properties

Compound NameN-[1-(3-ethylanilino)-3-methyl-1-oxobutan-2-yl]-4-methylcyclohexane-1-carboxamide
PubChem CID3681930
Molecular FormulaC21H32N2O2
Molecular Weight344.50 g/mol
Exact Mass344.25
IUPAC NameN-[1-(3-ethylanilino)-3-methyl-1-oxobutan-2-yl]-4-methylcyclohexane-1-carboxamide
SMILESCCc1cccc(NC(=O)C(NC(=O)C2CCC(C)CC2)C(C)C)c1
InChIInChI=1S/C21H32N2O2/c1-5-16-7-6-8-18(13-16)22-21(25)19(14(2)3)23-20(24)17-11-9-15(4)10-12-17/h6-8,13-15,17,19H,5,9-12H2,1-4H3,(H,22,25)(H,23,24)
InChIKeyOEEUDXNMUZTEFV-UHFFFAOYSA-N
XLogP4.15
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.50
LogP ≤ 54.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of N-[1-(3-ethylanilino)-3-methyl-1-oxobutan-2-yl]-4-methylcyclohexane-1-carboxamide?
The IUPAC name of N-[1-(3-ethylanilino)-3-methyl-1-oxobutan-2-yl]-4-methylcyclohexane-1-carboxamide (CID 3681930) is N-[1-(3-ethylanilino)-3-methyl-1-oxobutan-2-yl]-4-methylcyclohexane-1-carboxamide.
What is the SMILES notation for N-[1-(3-ethylanilino)-3-methyl-1-oxobutan-2-yl]-4-methylcyclohexane-1-carboxamide?
The canonical SMILES for N-[1-(3-ethylanilino)-3-methyl-1-oxobutan-2-yl]-4-methylcyclohexane-1-carboxamide is CCc1cccc(NC(=O)C(NC(=O)C2CCC(C)CC2)C(C)C)c1.
What is the InChIKey of N-[1-(3-ethylanilino)-3-methyl-1-oxobutan-2-yl]-4-methylcyclohexane-1-carboxamide?
The InChIKey is OEEUDXNMUZTEFV-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H32N2O2/c1-5-16-7-6-8-18(13-16)22-21(25)19(14(2)3)23-20(24)17-11-9-15(4)10-12-17/h6-8,13-15,17,19H,5,9-12H2,1-4H3,(H,22,25)(H,23,24).
What are the key properties of N-[1-(3-ethylanilino)-3-methyl-1-oxobutan-2-yl]-4-methylcyclohexane-1-carboxamide?
N-[1-(3-ethylanilino)-3-methyl-1-oxobutan-2-yl]-4-methylcyclohexane-1-carboxamide has a molecular weight of 344.50 g/mol, XLogP of 4.15, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(3-ethylanilino)-3-methyl-1-oxobutan-2-yl]-4-methylcyclohexane-1-carboxamide is sourced from PubChem (CID 3681930), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).