N-(2-aminobutyl)-2,4-dimethoxybenzamide

C13H20N2O3 — CID 63731362

IUPACN-(2-aminobutyl)-2,4-dimethoxybenzamide
SMILESCCC(N)CNC(=O)c1ccc(OC)cc1OC
InChIInChI=1S/C13H20N2O3/c1-4-9(14)8-15-13(16)11-6-5-10(17-2)7-12(11)18-3/h5-7,9H,4,8,14H2,1-3H3,(H,15,16)
InChIKeyRAQOXNHPQIXJID-UHFFFAOYSA-N
MW252.31 g/mol
LogP1.17
Rot. Bonds6

About N-(2-aminobutyl)-2,4-dimethoxybenzamide

N-(2-aminobutyl)-2,4-dimethoxybenzamide (PubChem CID 63731362) has the molecular formula C13H20N2O3 and a molecular weight of 252.31 g/mol. Its IUPAC name is N-(2-aminobutyl)-2,4-dimethoxybenzamide.

Molecular Properties

Compound NameN-(2-aminobutyl)-2,4-dimethoxybenzamide
PubChem CID63731362
Molecular FormulaC13H20N2O3
Molecular Weight252.31 g/mol
Exact Mass252.15
IUPAC NameN-(2-aminobutyl)-2,4-dimethoxybenzamide
SMILESCCC(N)CNC(=O)c1ccc(OC)cc1OC
InChIInChI=1S/C13H20N2O3/c1-4-9(14)8-15-13(16)11-6-5-10(17-2)7-12(11)18-3/h5-7,9H,4,8,14H2,1-3H3,(H,15,16)
InChIKeyRAQOXNHPQIXJID-UHFFFAOYSA-N
XLogP1.17
TPSA73.58 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.31
LogP ≤ 51.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(2-amino-4,4-dimethylpentyl)-2,4-dimethoxybenzamide
CID 107158363
N-(2-aminobutyl)-2-fluoro-4-methoxybenzamide
CID 102884002
2-[[(2,4-dimethoxybenzoyl)amino]methyl]butanoic acid
CID 65218074
methyl 3-[(2,4-dimethoxybenzoyl)amino]-2-iodopropanoate
CID 103493347
N-(1-aminobutan-2-yl)-2,4-dimethoxybenzamide
CID 63755359
N-(2-amino-4-methylpentyl)-2,5-dimethoxybenzamide
CID 107158831
N-(1-aminopentan-3-yl)-2,4-dimethoxybenzamide
CID 55101251
N-(2-hydroxyethyl)-2,4-dimethoxybenzamide
CID 43389009
N-[8-[(2,4-dimethoxybenzoyl)amino]octyl]-2,4-dimethoxybenzamide
CID 3517424
N-[6-[(2,4-dimethoxybenzoyl)amino]hexyl]-2,4-dimethoxybenzamide
CID 4051354
N-(2-aminopropyl)-2,5-dimethoxybenzamide
CID 63731879
ethyl 3-[(2,4-dimethoxybenzoyl)amino]propanoate
CID 47437682

Frequently Asked Questions

What is the IUPAC name of N-(2-aminobutyl)-2,4-dimethoxybenzamide?
The IUPAC name of N-(2-aminobutyl)-2,4-dimethoxybenzamide (CID 63731362) is N-(2-aminobutyl)-2,4-dimethoxybenzamide.
What is the SMILES notation for N-(2-aminobutyl)-2,4-dimethoxybenzamide?
The canonical SMILES for N-(2-aminobutyl)-2,4-dimethoxybenzamide is CCC(N)CNC(=O)c1ccc(OC)cc1OC.
What is the InChIKey of N-(2-aminobutyl)-2,4-dimethoxybenzamide?
The InChIKey is RAQOXNHPQIXJID-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N2O3/c1-4-9(14)8-15-13(16)11-6-5-10(17-2)7-12(11)18-3/h5-7,9H,4,8,14H2,1-3H3,(H,15,16).
What are the key properties of N-(2-aminobutyl)-2,4-dimethoxybenzamide?
N-(2-aminobutyl)-2,4-dimethoxybenzamide has a molecular weight of 252.31 g/mol, XLogP of 1.17, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-aminobutyl)-2,4-dimethoxybenzamide is sourced from PubChem (CID 63731362), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).