N-(2-amino-4-methylpentyl)-2,3-dimethoxybenzamide

C15H24N2O3 — CID 107158720

IUPACN-(2-amino-4-methylpentyl)-2,3-dimethoxybenzamide
SMILESCOc1cccc(C(=O)NCC(N)CC(C)C)c1OC
InChIInChI=1S/C15H24N2O3/c1-10(2)8-11(16)9-17-15(18)12-6-5-7-13(19-3)14(12)20-4/h5-7,10-11H,8-9,16H2,1-4H3,(H,17,18)
InChIKeyAHKOMFVNCQSUOA-UHFFFAOYSA-N
MW280.37 g/mol
LogP1.81
Rot. Bonds7

About N-(2-amino-4-methylpentyl)-2,3-dimethoxybenzamide

N-(2-amino-4-methylpentyl)-2,3-dimethoxybenzamide (PubChem CID 107158720) has the molecular formula C15H24N2O3 and a molecular weight of 280.37 g/mol. Its IUPAC name is N-(2-amino-4-methylpentyl)-2,3-dimethoxybenzamide.

Molecular Properties

Compound NameN-(2-amino-4-methylpentyl)-2,3-dimethoxybenzamide
PubChem CID107158720
Molecular FormulaC15H24N2O3
Molecular Weight280.37 g/mol
Exact Mass280.18
IUPAC NameN-(2-amino-4-methylpentyl)-2,3-dimethoxybenzamide
SMILESCOc1cccc(C(=O)NCC(N)CC(C)C)c1OC
InChIInChI=1S/C15H24N2O3/c1-10(2)8-11(16)9-17-15(18)12-6-5-7-13(19-3)14(12)20-4/h5-7,10-11H,8-9,16H2,1-4H3,(H,17,18)
InChIKeyAHKOMFVNCQSUOA-UHFFFAOYSA-N
XLogP1.81
TPSA73.58 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.37
LogP ≤ 51.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(2,2-dimethoxyethyl)-2,3-dimethoxybenzamide
CID 55025842
2,3-dimethoxy-N-[(2R)-4-methylpentan-2-yl]benzamide
CID 837030
N-(2-amino-4-methylpentyl)-2,5-dimethoxybenzamide
CID 107158831
N-(2-amino-4-methylpentyl)-2-(difluoromethoxy)benzamide
CID 107158740
2-(difluoromethoxy)-3-methoxy-N-(2-methylpropyl)benzamide
CID 134059564
N-[2-(furan-2-yl)-2-methoxyethyl]-2,3-dimethoxybenzamide
CID 121145514
N-(2-amino-4-methylpentyl)-2-fluorobenzamide
CID 107158830
N-(2-amino-4-methylpentyl)quinoline-4-carboxamide
CID 107158826
2,3-dimethoxy-N-[(2S)-2-methyl-3-naphthalen-1-ylpropyl]benzamide
CID 100531776
N-(2-amino-2-methylpropyl)-2,3-dimethoxybenzamide;hydrochloride
CID 119630210
N-[(2S)-2-hydroxypropyl]-2,3,4-trimethoxybenzamide
CID 83030336
methyl (3R)-3-amino-4-[(2-methoxybenzoyl)amino]butanoate
CID 70338940

Frequently Asked Questions

What is the IUPAC name of N-(2-amino-4-methylpentyl)-2,3-dimethoxybenzamide?
The IUPAC name of N-(2-amino-4-methylpentyl)-2,3-dimethoxybenzamide (CID 107158720) is N-(2-amino-4-methylpentyl)-2,3-dimethoxybenzamide.
What is the SMILES notation for N-(2-amino-4-methylpentyl)-2,3-dimethoxybenzamide?
The canonical SMILES for N-(2-amino-4-methylpentyl)-2,3-dimethoxybenzamide is COc1cccc(C(=O)NCC(N)CC(C)C)c1OC.
What is the InChIKey of N-(2-amino-4-methylpentyl)-2,3-dimethoxybenzamide?
The InChIKey is AHKOMFVNCQSUOA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N2O3/c1-10(2)8-11(16)9-17-15(18)12-6-5-7-13(19-3)14(12)20-4/h5-7,10-11H,8-9,16H2,1-4H3,(H,17,18).
What are the key properties of N-(2-amino-4-methylpentyl)-2,3-dimethoxybenzamide?
N-(2-amino-4-methylpentyl)-2,3-dimethoxybenzamide has a molecular weight of 280.37 g/mol, XLogP of 1.81, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-amino-4-methylpentyl)-2,3-dimethoxybenzamide is sourced from PubChem (CID 107158720), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).