N-(3-aminobutyl)-3,4-dimethoxybenzamide

C13H20N2O3 — CID 63253883

IUPACN-(3-aminobutyl)-3,4-dimethoxybenzamide
SMILESCOc1ccc(C(=O)NCCC(C)N)cc1OC
InChIInChI=1S/C13H20N2O3/c1-9(14)6-7-15-13(16)10-4-5-11(17-2)12(8-10)18-3/h4-5,8-9H,6-7,14H2,1-3H3,(H,15,16)
InChIKeyJYUJEFUGIRXRRT-UHFFFAOYSA-N
MW252.31 g/mol
LogP1.17
Rot. Bonds6

About N-(3-aminobutyl)-3,4-dimethoxybenzamide

N-(3-aminobutyl)-3,4-dimethoxybenzamide (PubChem CID 63253883) has the molecular formula C13H20N2O3 and a molecular weight of 252.31 g/mol. Its IUPAC name is N-(3-aminobutyl)-3,4-dimethoxybenzamide.

Molecular Properties

Compound NameN-(3-aminobutyl)-3,4-dimethoxybenzamide
PubChem CID63253883
Molecular FormulaC13H20N2O3
Molecular Weight252.31 g/mol
Exact Mass252.15
IUPAC NameN-(3-aminobutyl)-3,4-dimethoxybenzamide
SMILESCOc1ccc(C(=O)NCCC(C)N)cc1OC
InChIInChI=1S/C13H20N2O3/c1-9(14)6-7-15-13(16)10-4-5-11(17-2)12(8-10)18-3/h4-5,8-9H,6-7,14H2,1-3H3,(H,15,16)
InChIKeyJYUJEFUGIRXRRT-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-(4-aminopentyl)-3,4-dimethoxybenzamide
CID 106122930
N-(3-aminobutyl)-4-bromo-3,5-dimethoxybenzamide;hydrochloride
CID 119494813
N-(4-aminopentyl)-3-hydroxy-4-methoxybenzamide
CID 106122205
N-(4-chloropentyl)-3,4-dimethoxybenzamide
CID 106129860
N-(3-aminobutyl)-3-ethoxy-4-propoxybenzamide
CID 119498085
N-(2-aminooxyethyl)-3,4-dimethoxybenzamide
CID 92931840
3-hydroxy-4-methoxy-N-(3-methylbutyl)benzamide
CID 79600016
N-[2-(ethylamino)ethyl]-3,4-dimethoxybenzamide
CID 55100526
3,4-dimethoxy-N-[2-(2-propan-2-ylphenoxy)ethyl]benzamide
CID 99099115
1-N-[2-(3,4-dimethoxyphenyl)ethyl]-4-N-(3-methylbutyl)benzene-1,4-dicarboxamide
CID 109048227
4-ethoxy-N-(5-hydroxy-4-methylpentyl)-3-methoxybenzamide
CID 103861912
3-N-(3-aminobutyl)benzene-1,3-dicarboxamide;hydrochloride
CID 119498174

Frequently Asked Questions

What is the IUPAC name of N-(3-aminobutyl)-3,4-dimethoxybenzamide?
The IUPAC name of N-(3-aminobutyl)-3,4-dimethoxybenzamide (CID 63253883) is N-(3-aminobutyl)-3,4-dimethoxybenzamide.
What is the SMILES notation for N-(3-aminobutyl)-3,4-dimethoxybenzamide?
The canonical SMILES for N-(3-aminobutyl)-3,4-dimethoxybenzamide is COc1ccc(C(=O)NCCC(C)N)cc1OC.
What is the InChIKey of N-(3-aminobutyl)-3,4-dimethoxybenzamide?
The InChIKey is JYUJEFUGIRXRRT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N2O3/c1-9(14)6-7-15-13(16)10-4-5-11(17-2)12(8-10)18-3/h4-5,8-9H,6-7,14H2,1-3H3,(H,15,16).
What are the key properties of N-(3-aminobutyl)-3,4-dimethoxybenzamide?
N-(3-aminobutyl)-3,4-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-(3-aminobutyl)-3,4-dimethoxybenzamide is sourced from PubChem (CID 63253883), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).