2-methyl-N-[(2S)-4-methyl-1-oxo-1-[(3,4,5-trimethoxyphenyl)methylamino]pentan-2-yl]benzamide

C24H32N2O5 — CID 9483335

IUPAC2-methyl-N-[(2S)-4-methyl-1-oxo-1-[(3,4,5-trimethoxyphenyl)methylamino]pentan-2-yl]benzamide
SMILESCOc1cc(CNC(=O)[C@H](CC(C)C)NC(=O)c2ccccc2C)cc(OC)c1OC
InChIInChI=1S/C24H32N2O5/c1-15(2)11-19(26-23(27)18-10-8-7-9-16(18)3)24(28)25-14-17-12-20(29-4)22(31-6)21(13-17)30-5/h7-10,12-13,15,19H,11,14H2,1-6H3,(H,25,28)(H,26,27)/t19-/m0/s1
InChIKeyMGGODEPRFCZHGQ-IBGZPJMESA-N
MW428.53 g/mol
LogP3.48
Rot. Bonds10

About 2-methyl-N-[(2S)-4-methyl-1-oxo-1-[(3,4,5-trimethoxyphenyl)methylamino]pentan-2-yl]benzamide

2-methyl-N-[(2S)-4-methyl-1-oxo-1-[(3,4,5-trimethoxyphenyl)methylamino]pentan-2-yl]benzamide (PubChem CID 9483335) has the molecular formula C24H32N2O5 and a molecular weight of 428.53 g/mol. Its IUPAC name is 2-methyl-N-[(2S)-4-methyl-1-oxo-1-[(3,4,5-trimethoxyphenyl)methylamino]pentan-2-yl]benzamide.

Molecular Properties

Compound Name2-methyl-N-[(2S)-4-methyl-1-oxo-1-[(3,4,5-trimethoxyphenyl)methylamino]pentan-2-yl]benzamide
PubChem CID9483335
Molecular FormulaC24H32N2O5
Molecular Weight428.53 g/mol
Exact Mass428.23
IUPAC Name2-methyl-N-[(2S)-4-methyl-1-oxo-1-[(3,4,5-trimethoxyphenyl)methylamino]pentan-2-yl]benzamide
SMILESCOc1cc(CNC(=O)[C@H](CC(C)C)NC(=O)c2ccccc2C)cc(OC)c1OC
InChIInChI=1S/C24H32N2O5/c1-15(2)11-19(26-23(27)18-10-8-7-9-16(18)3)24(28)25-14-17-12-20(29-4)22(31-6)21(13-17)30-5/h7-10,12-13,15,19H,11,14H2,1-6H3,(H,25,28)(H,26,27)/t19-/m0/s1
InChIKeyMGGODEPRFCZHGQ-IBGZPJMESA-N
XLogP3.48
TPSA85.89 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500428.53
LogP ≤ 53.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[1-[1-(4,5-dimethoxy-2-methylphenyl)ethylamino]-4-methyl-1-oxopentan-2-yl]-2-methylbenzamide
CID 78878408
2-methyl-N-[4-methyl-1-oxo-1-[(4-pyrrolidin-1-ylphenyl)methylamino]pentan-2-yl]benzamide
CID 46461356
N-[1-(3-chloro-4-methoxyanilino)-4-methyl-1-oxopentan-2-yl]-2-methylbenzamide
CID 42990228
N-[1-[2-(3-methoxyphenoxy)ethylamino]-4-methyl-1-oxopentan-2-yl]-2-methylbenzamide
CID 46449236
2-(2,3-dimethylphenoxy)-N-[(3,4,5-trimethoxyphenyl)methyl]propanamide
CID 132656072
N-[2-[[3-methoxy-4-(3-methylbutoxy)phenyl]methylamino]-2-oxoethyl]-2-methylbenzamide
CID 55713571
N-[1-(3-ethoxypropylamino)-4-methyl-1-oxopentan-2-yl]-2-methylbenzamide
CID 78785278
2-methyl-N-[4-methyl-1-[(2-methyl-1,3-thiazol-5-yl)methylamino]-1-oxopentan-2-yl]benzamide
CID 86825605
2-methyl-N-[4-methyl-1-oxo-1-[[2-(pyrrolidin-1-ylmethyl)phenyl]methylamino]pentan-2-yl]benzamide
CID 43017874
5-[[[4-methyl-2-[(2-methylbenzoyl)amino]pentanoyl]amino]methyl]thiophene-2-carboxylic acid
CID 122110986
N-[1-[4-(methanesulfonamido)-3-methoxyanilino]-4-methyl-1-oxopentan-2-yl]-2-methylbenzamide
CID 55618994
N-[(2R)-1-[[2-(2,6-dimethylanilino)-2-oxoethyl]amino]-4-methyl-1-oxopentan-2-yl]-2-methylbenzamide
CID 26002664

Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-[(2S)-4-methyl-1-oxo-1-[(3,4,5-trimethoxyphenyl)methylamino]pentan-2-yl]benzamide?
The IUPAC name of 2-methyl-N-[(2S)-4-methyl-1-oxo-1-[(3,4,5-trimethoxyphenyl)methylamino]pentan-2-yl]benzamide (CID 9483335) is 2-methyl-N-[(2S)-4-methyl-1-oxo-1-[(3,4,5-trimethoxyphenyl)methylamino]pentan-2-yl]benzamide.
What is the SMILES notation for 2-methyl-N-[(2S)-4-methyl-1-oxo-1-[(3,4,5-trimethoxyphenyl)methylamino]pentan-2-yl]benzamide?
The canonical SMILES for 2-methyl-N-[(2S)-4-methyl-1-oxo-1-[(3,4,5-trimethoxyphenyl)methylamino]pentan-2-yl]benzamide is COc1cc(CNC(=O)[C@H](CC(C)C)NC(=O)c2ccccc2C)cc(OC)c1OC.
What is the InChIKey of 2-methyl-N-[(2S)-4-methyl-1-oxo-1-[(3,4,5-trimethoxyphenyl)methylamino]pentan-2-yl]benzamide?
The InChIKey is MGGODEPRFCZHGQ-IBGZPJMESA-N. The full InChI is InChI=1S/C24H32N2O5/c1-15(2)11-19(26-23(27)18-10-8-7-9-16(18)3)24(28)25-14-17-12-20(29-4)22(31-6)21(13-17)30-5/h7-10,12-13,15,19H,11,14H2,1-6H3,(H,25,28)(H,26,27)/t19-/m0/s1.
What are the key properties of 2-methyl-N-[(2S)-4-methyl-1-oxo-1-[(3,4,5-trimethoxyphenyl)methylamino]pentan-2-yl]benzamide?
2-methyl-N-[(2S)-4-methyl-1-oxo-1-[(3,4,5-trimethoxyphenyl)methylamino]pentan-2-yl]benzamide has a molecular weight of 428.53 g/mol, XLogP of 3.48, 10 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-[(2S)-4-methyl-1-oxo-1-[(3,4,5-trimethoxyphenyl)methylamino]pentan-2-yl]benzamide is sourced from PubChem (CID 9483335), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).