N-[1-[1-(4,5-dimethoxy-2-methylphenyl)ethylamino]-4-methyl-1-oxopentan-2-yl]-2-methylbenzamide

C25H34N2O4 — CID 78878408

IUPACN-[1-[1-(4,5-dimethoxy-2-methylphenyl)ethylamino]-4-methyl-1-oxopentan-2-yl]-2-methylbenzamide
SMILESCOc1cc(C)c(C(C)NC(=O)C(CC(C)C)NC(=O)c2ccccc2C)cc1OC
InChIInChI=1S/C25H34N2O4/c1-15(2)12-21(27-24(28)19-11-9-8-10-16(19)3)25(29)26-18(5)20-14-23(31-7)22(30-6)13-17(20)4/h8-11,13-15,18,21H,12H2,1-7H3,(H,26,29)(H,27,28)
InChIKeyKUMBYGQEUHZELS-UHFFFAOYSA-N
MW426.56 g/mol
LogP4.34
Rot. Bonds9

About N-[1-[1-(4,5-dimethoxy-2-methylphenyl)ethylamino]-4-methyl-1-oxopentan-2-yl]-2-methylbenzamide

N-[1-[1-(4,5-dimethoxy-2-methylphenyl)ethylamino]-4-methyl-1-oxopentan-2-yl]-2-methylbenzamide (PubChem CID 78878408) has the molecular formula C25H34N2O4 and a molecular weight of 426.56 g/mol. Its IUPAC name is N-[1-[1-(4,5-dimethoxy-2-methylphenyl)ethylamino]-4-methyl-1-oxopentan-2-yl]-2-methylbenzamide.

Molecular Properties

Compound NameN-[1-[1-(4,5-dimethoxy-2-methylphenyl)ethylamino]-4-methyl-1-oxopentan-2-yl]-2-methylbenzamide
PubChem CID78878408
Molecular FormulaC25H34N2O4
Molecular Weight426.56 g/mol
Exact Mass426.25
IUPAC NameN-[1-[1-(4,5-dimethoxy-2-methylphenyl)ethylamino]-4-methyl-1-oxopentan-2-yl]-2-methylbenzamide
SMILESCOc1cc(C)c(C(C)NC(=O)C(CC(C)C)NC(=O)c2ccccc2C)cc1OC
InChIInChI=1S/C25H34N2O4/c1-15(2)12-21(27-24(28)19-11-9-8-10-16(19)3)25(29)26-18(5)20-14-23(31-7)22(30-6)13-17(20)4/h8-11,13-15,18,21H,12H2,1-7H3,(H,26,29)(H,27,28)
InChIKeyKUMBYGQEUHZELS-UHFFFAOYSA-N
XLogP4.34
TPSA76.66 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500426.56
LogP ≤ 54.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[1-(3-chloro-4-methoxyanilino)-4-methyl-1-oxopentan-2-yl]-2-methylbenzamide
CID 42990228
2-methyl-N-[(2S)-4-methyl-1-oxo-1-[(3,4,5-trimethoxyphenyl)methylamino]pentan-2-yl]benzamide
CID 9483335
2-methyl-N-[4-methyl-1-(5-methylhexan-2-ylamino)-1-oxopentan-2-yl]benzamide
CID 112789345
N-[1-(4,5-dimethoxy-2-methylphenyl)ethyl]-2-methylpropanamide
CID 46485721
(3S)-3-[[(2S)-4-methyl-2-[(2-methylbenzoyl)amino]pentanoyl]amino]butanoic acid
CID 97072625
N-[1-[2-(3-methoxyphenoxy)ethylamino]-4-methyl-1-oxopentan-2-yl]-2-methylbenzamide
CID 46449236
N-[(1R)-1-(4,5-dimethoxy-2-methylphenyl)ethyl]-2-propylsulfonylbenzamide
CID 51956574
N-[1-[4-(methanesulfonamido)-3-methoxyanilino]-4-methyl-1-oxopentan-2-yl]-2-methylbenzamide
CID 55618994
N-[1-(3,4-dimethoxyphenyl)ethyl]-2-methylbenzamide
CID 2894493
N-[1-(dimethylamino)-4-methyl-1-oxopentan-2-yl]-2-methylbenzamide
CID 47101431
(2S)-2-[(2-methoxybenzoyl)amino]-4-methylpentanoic acid
CID 42255886
2-acetamido-N-[1-(4,5-dimethoxy-2-methylphenyl)ethyl]-3-(1H-indol-3-yl)propanamide
CID 78878483

Frequently Asked Questions

What is the IUPAC name of N-[1-[1-(4,5-dimethoxy-2-methylphenyl)ethylamino]-4-methyl-1-oxopentan-2-yl]-2-methylbenzamide?
The IUPAC name of N-[1-[1-(4,5-dimethoxy-2-methylphenyl)ethylamino]-4-methyl-1-oxopentan-2-yl]-2-methylbenzamide (CID 78878408) is N-[1-[1-(4,5-dimethoxy-2-methylphenyl)ethylamino]-4-methyl-1-oxopentan-2-yl]-2-methylbenzamide.
What is the SMILES notation for N-[1-[1-(4,5-dimethoxy-2-methylphenyl)ethylamino]-4-methyl-1-oxopentan-2-yl]-2-methylbenzamide?
The canonical SMILES for N-[1-[1-(4,5-dimethoxy-2-methylphenyl)ethylamino]-4-methyl-1-oxopentan-2-yl]-2-methylbenzamide is COc1cc(C)c(C(C)NC(=O)C(CC(C)C)NC(=O)c2ccccc2C)cc1OC.
What is the InChIKey of N-[1-[1-(4,5-dimethoxy-2-methylphenyl)ethylamino]-4-methyl-1-oxopentan-2-yl]-2-methylbenzamide?
The InChIKey is KUMBYGQEUHZELS-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H34N2O4/c1-15(2)12-21(27-24(28)19-11-9-8-10-16(19)3)25(29)26-18(5)20-14-23(31-7)22(30-6)13-17(20)4/h8-11,13-15,18,21H,12H2,1-7H3,(H,26,29)(H,27,28).
What are the key properties of N-[1-[1-(4,5-dimethoxy-2-methylphenyl)ethylamino]-4-methyl-1-oxopentan-2-yl]-2-methylbenzamide?
N-[1-[1-(4,5-dimethoxy-2-methylphenyl)ethylamino]-4-methyl-1-oxopentan-2-yl]-2-methylbenzamide has a molecular weight of 426.56 g/mol, XLogP of 4.34, 9 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[1-(4,5-dimethoxy-2-methylphenyl)ethylamino]-4-methyl-1-oxopentan-2-yl]-2-methylbenzamide is sourced from PubChem (CID 78878408), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).