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

C22H34N2O2 — CID 22422552

IUPACN-[1-(3-ethylanilino)-4-methyl-1-oxopentan-2-yl]-4-methylcyclohexane-1-carboxamide
SMILESCCc1cccc(NC(=O)C(CC(C)C)NC(=O)C2CCC(C)CC2)c1
InChIInChI=1S/C22H34N2O2/c1-5-17-7-6-8-19(14-17)23-22(26)20(13-15(2)3)24-21(25)18-11-9-16(4)10-12-18/h6-8,14-16,18,20H,5,9-13H2,1-4H3,(H,23,26)(H,24,25)
InChIKeyAWOREVCQXQZGBZ-UHFFFAOYSA-N
MW358.53 g/mol
LogP4.54
Rot. Bonds7

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

N-[1-(3-ethylanilino)-4-methyl-1-oxopentan-2-yl]-4-methylcyclohexane-1-carboxamide (PubChem CID 22422552) has the molecular formula C22H34N2O2 and a molecular weight of 358.53 g/mol. Its IUPAC name is N-[1-(3-ethylanilino)-4-methyl-1-oxopentan-2-yl]-4-methylcyclohexane-1-carboxamide.

Molecular Properties

Compound NameN-[1-(3-ethylanilino)-4-methyl-1-oxopentan-2-yl]-4-methylcyclohexane-1-carboxamide
PubChem CID22422552
Molecular FormulaC22H34N2O2
Molecular Weight358.53 g/mol
Exact Mass358.26
IUPAC NameN-[1-(3-ethylanilino)-4-methyl-1-oxopentan-2-yl]-4-methylcyclohexane-1-carboxamide
SMILESCCc1cccc(NC(=O)C(CC(C)C)NC(=O)C2CCC(C)CC2)c1
InChIInChI=1S/C22H34N2O2/c1-5-17-7-6-8-19(14-17)23-22(26)20(13-15(2)3)24-21(25)18-11-9-16(4)10-12-18/h6-8,14-16,18,20H,5,9-13H2,1-4H3,(H,23,26)(H,24,25)
InChIKeyAWOREVCQXQZGBZ-UHFFFAOYSA-N
XLogP4.54
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.53
LogP ≤ 54.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-[1-(3-ethylanilino)-3-methyl-1-oxobutan-2-yl]-4-methylcyclohexane-1-carboxamide
CID 3681930
4-methyl-N-[4-methyl-1-[(6-methyl-2-pyridinyl)amino]-1-oxopentan-2-yl]cyclohexane-1-carboxamide
CID 6621139
4-methyl-N-[(2S)-4-methyl-1-oxo-1-[[(1S)-1-phenylethyl]amino]pentan-2-yl]cyclohexane-1-carboxamide
CID 7064725
2-(carbamoylamino)-N-[3-(hydroxymethyl)phenyl]-4-methylpentanamide
CID 60629921
(2R)-2-[(3-ethylphenyl)carbamoylamino]-4-methylpentanoic acid
CID 78976235
N-[3-[[[(2R)-2-methylbutanoyl]amino]methyl]phenyl]cyclopropanecarboxamide
CID 30291694
N-[4-methyl-1-(methylamino)-1-oxopentan-2-yl]cyclopropanecarboxamide
CID 60776170
methyl N-[4-methyl-1-[3-[(3-methylcyclohexyl)oxymethyl]anilino]-1-oxopentan-2-yl]carbamate
CID 60599927
3-(cyclopropanecarbonylamino)-N-(3-ethylphenyl)benzamide
CID 32736931
N-(3-ethylphenyl)-2-methyl-3-(methylamino)propanamide
CID 79196152
2-acetamido-N-(3-ethylphenyl)-3-sulfanylpropanamide
CID 107769022
4-methyl-2-(3-methylbutanoylamino)-N-[3-[[4-methyl-2-(3-methylbutanoylamino)pentanoyl]amino]phenyl]pentanamide
CID 74926917

Frequently Asked Questions

What is the IUPAC name of N-[1-(3-ethylanilino)-4-methyl-1-oxopentan-2-yl]-4-methylcyclohexane-1-carboxamide?
The IUPAC name of N-[1-(3-ethylanilino)-4-methyl-1-oxopentan-2-yl]-4-methylcyclohexane-1-carboxamide (CID 22422552) is N-[1-(3-ethylanilino)-4-methyl-1-oxopentan-2-yl]-4-methylcyclohexane-1-carboxamide.
What is the SMILES notation for N-[1-(3-ethylanilino)-4-methyl-1-oxopentan-2-yl]-4-methylcyclohexane-1-carboxamide?
The canonical SMILES for N-[1-(3-ethylanilino)-4-methyl-1-oxopentan-2-yl]-4-methylcyclohexane-1-carboxamide is CCc1cccc(NC(=O)C(CC(C)C)NC(=O)C2CCC(C)CC2)c1.
What is the InChIKey of N-[1-(3-ethylanilino)-4-methyl-1-oxopentan-2-yl]-4-methylcyclohexane-1-carboxamide?
The InChIKey is AWOREVCQXQZGBZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H34N2O2/c1-5-17-7-6-8-19(14-17)23-22(26)20(13-15(2)3)24-21(25)18-11-9-16(4)10-12-18/h6-8,14-16,18,20H,5,9-13H2,1-4H3,(H,23,26)(H,24,25).
What are the key properties of N-[1-(3-ethylanilino)-4-methyl-1-oxopentan-2-yl]-4-methylcyclohexane-1-carboxamide?
N-[1-(3-ethylanilino)-4-methyl-1-oxopentan-2-yl]-4-methylcyclohexane-1-carboxamide has a molecular weight of 358.53 g/mol, XLogP of 4.54, 7 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(3-ethylanilino)-4-methyl-1-oxopentan-2-yl]-4-methylcyclohexane-1-carboxamide is sourced from PubChem (CID 22422552), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).