N-(3-amino-4-methoxybutyl)-3,5-dimethoxybenzamide

C14H22N2O4 — CID 106243059

IUPACN-(3-amino-4-methoxybutyl)-3,5-dimethoxybenzamide
SMILESCOCC(N)CCNC(=O)c1cc(OC)cc(OC)c1
InChIInChI=1S/C14H22N2O4/c1-18-9-11(15)4-5-16-14(17)10-6-12(19-2)8-13(7-10)20-3/h6-8,11H,4-5,9,15H2,1-3H3,(H,16,17)
InChIKeyQEKYDSCDEBBUFJ-UHFFFAOYSA-N
MW282.34 g/mol
LogP0.80
Rot. Bonds8

About N-(3-amino-4-methoxybutyl)-3,5-dimethoxybenzamide

N-(3-amino-4-methoxybutyl)-3,5-dimethoxybenzamide (PubChem CID 106243059) has the molecular formula C14H22N2O4 and a molecular weight of 282.34 g/mol. Its IUPAC name is N-(3-amino-4-methoxybutyl)-3,5-dimethoxybenzamide.

Molecular Properties

Compound NameN-(3-amino-4-methoxybutyl)-3,5-dimethoxybenzamide
PubChem CID106243059
Molecular FormulaC14H22N2O4
Molecular Weight282.34 g/mol
Exact Mass282.16
IUPAC NameN-(3-amino-4-methoxybutyl)-3,5-dimethoxybenzamide
SMILESCOCC(N)CCNC(=O)c1cc(OC)cc(OC)c1
InChIInChI=1S/C14H22N2O4/c1-18-9-11(15)4-5-16-14(17)10-6-12(19-2)8-13(7-10)20-3/h6-8,11H,4-5,9,15H2,1-3H3,(H,16,17)
InChIKeyQEKYDSCDEBBUFJ-UHFFFAOYSA-N
XLogP0.80
TPSA82.81 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.34
LogP ≤ 50.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-(3-amino-4-methoxybutyl)-3-fluoro-5-methylbenzamide
CID 106243543
N-(3-amino-4-methoxybutyl)naphthalene-2-carboxamide
CID 106243297
N-(2-aminooxyethyl)-3,5-dimethoxybenzamide
CID 92931838
4-[(3,5-dimethoxybenzoyl)amino]-2-hydroxybutanoic acid
CID 107832382
4-[(3,5-dimethoxybenzoyl)amino]-2-methylbutanoic acid
CID 80539032
N-[4-[(3,5-dimethoxybenzoyl)amino]butyl]-3,5-dimethoxybenzamide
CID 2933573
N-(3-amino-4-methoxybutyl)-2-(4-methoxyphenyl)acetamide
CID 106243082
N-(3-amino-4-methoxybutyl)-3-fluorobenzamide
CID 106243471
N-(3-hydroxy-4,4-dimethylpentyl)-3,5-dimethoxybenzamide
CID 90523388
N-(2-aminopentyl)-3,5-dimethoxybenzamide
CID 115737673
3,5-dimethoxy-N-[2-(propan-2-ylamino)ethyl]benzamide
CID 62663294
N-(3-amino-4-methoxybutyl)-3-(trifluoromethyl)benzamide
CID 106243205

Frequently Asked Questions

What is the IUPAC name of N-(3-amino-4-methoxybutyl)-3,5-dimethoxybenzamide?
The IUPAC name of N-(3-amino-4-methoxybutyl)-3,5-dimethoxybenzamide (CID 106243059) is N-(3-amino-4-methoxybutyl)-3,5-dimethoxybenzamide.
What is the SMILES notation for N-(3-amino-4-methoxybutyl)-3,5-dimethoxybenzamide?
The canonical SMILES for N-(3-amino-4-methoxybutyl)-3,5-dimethoxybenzamide is COCC(N)CCNC(=O)c1cc(OC)cc(OC)c1.
What is the InChIKey of N-(3-amino-4-methoxybutyl)-3,5-dimethoxybenzamide?
The InChIKey is QEKYDSCDEBBUFJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2O4/c1-18-9-11(15)4-5-16-14(17)10-6-12(19-2)8-13(7-10)20-3/h6-8,11H,4-5,9,15H2,1-3H3,(H,16,17).
What are the key properties of N-(3-amino-4-methoxybutyl)-3,5-dimethoxybenzamide?
N-(3-amino-4-methoxybutyl)-3,5-dimethoxybenzamide has a molecular weight of 282.34 g/mol, XLogP of 0.80, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-amino-4-methoxybutyl)-3,5-dimethoxybenzamide is sourced from PubChem (CID 106243059), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).