2-amino-4-methyl-N-(3,4,5-trimethoxyphenyl)pentanamide

C15H24N2O4 — CID 24710340

IUPAC2-amino-4-methyl-N-(3,4,5-trimethoxyphenyl)pentanamide
SMILESCOc1cc(NC(=O)C(N)CC(C)C)cc(OC)c1OC
InChIInChI=1S/C15H24N2O4/c1-9(2)6-11(16)15(18)17-10-7-12(19-3)14(21-5)13(8-10)20-4/h7-9,11H,6,16H2,1-5H3,(H,17,18)
InChIKeyQSEVPRSFBZNEMA-UHFFFAOYSA-N
MW296.37 g/mol
LogP2.02
Rot. Bonds7

About 2-amino-4-methyl-N-(3,4,5-trimethoxyphenyl)pentanamide

2-amino-4-methyl-N-(3,4,5-trimethoxyphenyl)pentanamide (PubChem CID 24710340) has the molecular formula C15H24N2O4 and a molecular weight of 296.37 g/mol. Its IUPAC name is 2-amino-4-methyl-N-(3,4,5-trimethoxyphenyl)pentanamide.

Molecular Properties

Compound Name2-amino-4-methyl-N-(3,4,5-trimethoxyphenyl)pentanamide
PubChem CID24710340
Molecular FormulaC15H24N2O4
Molecular Weight296.37 g/mol
Exact Mass296.17
IUPAC Name2-amino-4-methyl-N-(3,4,5-trimethoxyphenyl)pentanamide
SMILESCOc1cc(NC(=O)C(N)CC(C)C)cc(OC)c1OC
InChIInChI=1S/C15H24N2O4/c1-9(2)6-11(16)15(18)17-10-7-12(19-3)14(21-5)13(8-10)20-4/h7-9,11H,6,16H2,1-5H3,(H,17,18)
InChIKeyQSEVPRSFBZNEMA-UHFFFAOYSA-N
XLogP2.02
TPSA82.81 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.37
LogP ≤ 52.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-amino-N-(4-methoxynaphthalen-2-yl)-4-methylpentanamide;hydrochloride
CID 3014281
2-amino-N-(3-hydroxy-4-methoxyphenyl)-4-methylpentanamide
CID 43710840
3-amino-2-methoxy-N-(3,4,5-trimethoxyphenyl)propanamide
CID 106111011
5-[(2-amino-4-methylpentanoyl)amino]benzene-1,3-dicarboxylic acid
CID 61162411
1-(3-methylbutyl)-3-(3,4,5-trimethoxyphenyl)urea
CID 51712129
2-amino-N-(2-methoxy-5-methylphenyl)-4-methylpentanamide
CID 24690909
(2S)-2-amino-N-(2,4-dimethoxyphenyl)-4-methylpentanamide
CID 22691067
2-amino-N-(3,5-dibromo-4-hydroxyphenyl)-4-methylpentanamide
CID 13419970
(2R)-2-amino-N-[3-methoxy-4-(1H-pyrrolo[2,3-b]pyridin-4-yl)phenyl]-4-methylpentanamide
CID 165404602
(3S)-3-amino-4-[(4-methoxynaphthalen-2-yl)amino]-4-oxobutanoic acid
CID 7021432
N-[3-[[(2S)-2-amino-4-methylpentanoyl]sulfamoyl]phenyl]-3,4,5-trimethoxybenzamide
CID 164618952
(2S)-2-amino-4-methyl-N-[3-(5,6,7-trimethoxy-4-oxochromen-2-yl)phenyl]pentanamide
CID 170454003

Frequently Asked Questions

What is the IUPAC name of 2-amino-4-methyl-N-(3,4,5-trimethoxyphenyl)pentanamide?
The IUPAC name of 2-amino-4-methyl-N-(3,4,5-trimethoxyphenyl)pentanamide (CID 24710340) is 2-amino-4-methyl-N-(3,4,5-trimethoxyphenyl)pentanamide.
What is the SMILES notation for 2-amino-4-methyl-N-(3,4,5-trimethoxyphenyl)pentanamide?
The canonical SMILES for 2-amino-4-methyl-N-(3,4,5-trimethoxyphenyl)pentanamide is COc1cc(NC(=O)C(N)CC(C)C)cc(OC)c1OC.
What is the InChIKey of 2-amino-4-methyl-N-(3,4,5-trimethoxyphenyl)pentanamide?
The InChIKey is QSEVPRSFBZNEMA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N2O4/c1-9(2)6-11(16)15(18)17-10-7-12(19-3)14(21-5)13(8-10)20-4/h7-9,11H,6,16H2,1-5H3,(H,17,18).
What are the key properties of 2-amino-4-methyl-N-(3,4,5-trimethoxyphenyl)pentanamide?
2-amino-4-methyl-N-(3,4,5-trimethoxyphenyl)pentanamide has a molecular weight of 296.37 g/mol, XLogP of 2.02, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-4-methyl-N-(3,4,5-trimethoxyphenyl)pentanamide is sourced from PubChem (CID 24710340), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).