N-[1-(2,5-dimethoxyanilino)-3-methyl-1-oxopentan-2-yl]-4-methylcyclohexane-1-carboxamide

C22H34N2O4 — CID 6619109

IUPACN-[1-(2,5-dimethoxyanilino)-3-methyl-1-oxopentan-2-yl]-4-methylcyclohexane-1-carboxamide
SMILESCCC(C)C(NC(=O)C1CCC(C)CC1)C(=O)Nc1cc(OC)ccc1OC
InChIInChI=1S/C22H34N2O4/c1-6-15(3)20(24-21(25)16-9-7-14(2)8-10-16)22(26)23-18-13-17(27-4)11-12-19(18)28-5/h11-16,20H,6-10H2,1-5H3,(H,23,26)(H,24,25)
InChIKeyAUIDBAOMSCVBIC-UHFFFAOYSA-N
MW390.52 g/mol
LogP4.00
Rot. Bonds8

About N-[1-(2,5-dimethoxyanilino)-3-methyl-1-oxopentan-2-yl]-4-methylcyclohexane-1-carboxamide

N-[1-(2,5-dimethoxyanilino)-3-methyl-1-oxopentan-2-yl]-4-methylcyclohexane-1-carboxamide (PubChem CID 6619109) has the molecular formula C22H34N2O4 and a molecular weight of 390.52 g/mol. Its IUPAC name is N-[1-(2,5-dimethoxyanilino)-3-methyl-1-oxopentan-2-yl]-4-methylcyclohexane-1-carboxamide.

Molecular Properties

Compound NameN-[1-(2,5-dimethoxyanilino)-3-methyl-1-oxopentan-2-yl]-4-methylcyclohexane-1-carboxamide
PubChem CID6619109
Molecular FormulaC22H34N2O4
Molecular Weight390.52 g/mol
Exact Mass390.25
IUPAC NameN-[1-(2,5-dimethoxyanilino)-3-methyl-1-oxopentan-2-yl]-4-methylcyclohexane-1-carboxamide
SMILESCCC(C)C(NC(=O)C1CCC(C)CC1)C(=O)Nc1cc(OC)ccc1OC
InChIInChI=1S/C22H34N2O4/c1-6-15(3)20(24-21(25)16-9-7-14(2)8-10-16)22(26)23-18-13-17(27-4)11-12-19(18)28-5/h11-16,20H,6-10H2,1-5H3,(H,23,26)(H,24,25)
InChIKeyAUIDBAOMSCVBIC-UHFFFAOYSA-N
XLogP4.00
TPSA76.66 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.52
LogP ≤ 54.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-butyl-N-(2,5-dimethoxyphenyl)cyclohexane-1-carboxamide
CID 19206893
N-[(2S)-1-(3,4-dimethoxyanilino)-3-methyl-1-oxobutan-2-yl]-4-methylcyclohexane-1-carboxamide
CID 7043521
N-[(2R,3R)-1-[[5-(3-methoxyphenyl)-1,3,4-thiadiazol-2-yl]amino]-3-methyl-1-oxopentan-2-yl]cyclopropanecarboxamide
CID 7283343
2-amino-N-(2,5-dimethoxyphenyl)pentanamide;hydrochloride
CID 119263329
N-[(2R,3S)-1-(furan-2-ylmethylamino)-3-methyl-1-oxopentan-2-yl]-4-methylcyclohexane-1-carboxamide
CID 7064745
N-[1-[2-(3,4-dimethoxyphenyl)ethylamino]-3-methyl-1-oxopentan-2-yl]cyclobutanecarboxamide
CID 16722816
1-N-(2-methoxy-5-methylphenyl)-4-N-propan-2-ylcyclohexane-1,4-dicarboxamide
CID 109144583
(2R)-N-(2,5-dimethoxyphenyl)-2-(4-methoxyphenoxy)butanamide
CID 42082643
1-butanoyl-N-(2,5-dimethoxyphenyl)piperidine-4-carboxamide
CID 113007690
N-[3-[1-(2,5-dimethoxyanilino)-1-oxopropan-2-yl]sulfanylphenyl]cyclopropanecarboxamide
CID 18901255
4-N-(2,5-dimethoxyphenyl)-1-N-(3-methylphenyl)cyclohexane-1,4-dicarboxamide
CID 109150438
4-methyl-N-[3-methyl-1-oxo-1-(pyridin-3-ylmethylamino)pentan-2-yl]cyclohexane-1-carboxamide
CID 3239858

Frequently Asked Questions

What is the IUPAC name of N-[1-(2,5-dimethoxyanilino)-3-methyl-1-oxopentan-2-yl]-4-methylcyclohexane-1-carboxamide?
The IUPAC name of N-[1-(2,5-dimethoxyanilino)-3-methyl-1-oxopentan-2-yl]-4-methylcyclohexane-1-carboxamide (CID 6619109) is N-[1-(2,5-dimethoxyanilino)-3-methyl-1-oxopentan-2-yl]-4-methylcyclohexane-1-carboxamide.
What is the SMILES notation for N-[1-(2,5-dimethoxyanilino)-3-methyl-1-oxopentan-2-yl]-4-methylcyclohexane-1-carboxamide?
The canonical SMILES for N-[1-(2,5-dimethoxyanilino)-3-methyl-1-oxopentan-2-yl]-4-methylcyclohexane-1-carboxamide is CCC(C)C(NC(=O)C1CCC(C)CC1)C(=O)Nc1cc(OC)ccc1OC.
What is the InChIKey of N-[1-(2,5-dimethoxyanilino)-3-methyl-1-oxopentan-2-yl]-4-methylcyclohexane-1-carboxamide?
The InChIKey is AUIDBAOMSCVBIC-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H34N2O4/c1-6-15(3)20(24-21(25)16-9-7-14(2)8-10-16)22(26)23-18-13-17(27-4)11-12-19(18)28-5/h11-16,20H,6-10H2,1-5H3,(H,23,26)(H,24,25).
What are the key properties of N-[1-(2,5-dimethoxyanilino)-3-methyl-1-oxopentan-2-yl]-4-methylcyclohexane-1-carboxamide?
N-[1-(2,5-dimethoxyanilino)-3-methyl-1-oxopentan-2-yl]-4-methylcyclohexane-1-carboxamide has a molecular weight of 390.52 g/mol, XLogP of 4.00, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(2,5-dimethoxyanilino)-3-methyl-1-oxopentan-2-yl]-4-methylcyclohexane-1-carboxamide is sourced from PubChem (CID 6619109), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).