N-[2-(aminomethyl)-2-ethylbutyl]-3,4-dimethoxybenzamide

C16H26N2O3 — CID 106250783

IUPACN-[2-(aminomethyl)-2-ethylbutyl]-3,4-dimethoxybenzamide
SMILESCCC(CC)(CN)CNC(=O)c1ccc(OC)c(OC)c1
InChIInChI=1S/C16H26N2O3/c1-5-16(6-2,10-17)11-18-15(19)12-7-8-13(20-3)14(9-12)21-4/h7-9H,5-6,10-11,17H2,1-4H3,(H,18,19)
InChIKeyHYLHFJYLEUQKFQ-UHFFFAOYSA-N
MW294.40 g/mol
LogP2.20
Rot. Bonds8

About N-[2-(aminomethyl)-2-ethylbutyl]-3,4-dimethoxybenzamide

N-[2-(aminomethyl)-2-ethylbutyl]-3,4-dimethoxybenzamide (PubChem CID 106250783) has the molecular formula C16H26N2O3 and a molecular weight of 294.40 g/mol. Its IUPAC name is N-[2-(aminomethyl)-2-ethylbutyl]-3,4-dimethoxybenzamide.

Molecular Properties

Compound NameN-[2-(aminomethyl)-2-ethylbutyl]-3,4-dimethoxybenzamide
PubChem CID106250783
Molecular FormulaC16H26N2O3
Molecular Weight294.40 g/mol
Exact Mass294.19
IUPAC NameN-[2-(aminomethyl)-2-ethylbutyl]-3,4-dimethoxybenzamide
SMILESCCC(CC)(CN)CNC(=O)c1ccc(OC)c(OC)c1
InChIInChI=1S/C16H26N2O3/c1-5-16(6-2,10-17)11-18-15(19)12-7-8-13(20-3)14(9-12)21-4/h7-9H,5-6,10-11,17H2,1-4H3,(H,18,19)
InChIKeyHYLHFJYLEUQKFQ-UHFFFAOYSA-N
XLogP2.20
TPSA73.58 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.40
LogP ≤ 52.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze N-[2-(aminomethyl)-2-ethylbutyl]-3,4-dimethoxybenzamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[2-(aminomethyl)-2-ethylbutyl]-4-methoxybenzamide
CID 106250544
N-(5-amino-2,2-dimethylpentyl)-3,4-dimethoxybenzamide
CID 106141080
3-[(3,4-dimethoxybenzoyl)amino]-2-methyl-2-phenylpropanoic acid
CID 120701119
N-[2-(bromomethyl)-2-ethylbutyl]-3-methoxy-4-methylbenzamide
CID 106255437
N-[2-(aminomethyl)-2-ethylbutyl]-4-fluoro-3-methylbenzamide
CID 106250501
4-ethoxy-3-methoxy-N-(2,2,2-trifluoroethyl)benzamide
CID 78786050
propyl 2-[(3,4-dimethoxybenzoyl)amino]acetate
CID 46526157
N-[2-(aminomethyl)-2-ethylbutyl]-6-methylpyridine-3-carboxamide
CID 114164010
ethyl 2-[(3-ethoxy-4-methoxybenzoyl)amino]acetate
CID 47257630
N-(2-amino-2-methylpropyl)-4-butoxy-3-methoxybenzamide
CID 119628351
4-amino-N-(2,2-dimethylbutyl)-3-methoxybenzamide
CID 103459930
3,4-dimethoxy-N-(2-methylbutan-2-yl)benzamide
CID 3297993

Frequently Asked Questions

What is the IUPAC name of N-[2-(aminomethyl)-2-ethylbutyl]-3,4-dimethoxybenzamide?
The IUPAC name of N-[2-(aminomethyl)-2-ethylbutyl]-3,4-dimethoxybenzamide (CID 106250783) is N-[2-(aminomethyl)-2-ethylbutyl]-3,4-dimethoxybenzamide.
What is the SMILES notation for N-[2-(aminomethyl)-2-ethylbutyl]-3,4-dimethoxybenzamide?
The canonical SMILES for N-[2-(aminomethyl)-2-ethylbutyl]-3,4-dimethoxybenzamide is CCC(CC)(CN)CNC(=O)c1ccc(OC)c(OC)c1.
What is the InChIKey of N-[2-(aminomethyl)-2-ethylbutyl]-3,4-dimethoxybenzamide?
The InChIKey is HYLHFJYLEUQKFQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N2O3/c1-5-16(6-2,10-17)11-18-15(19)12-7-8-13(20-3)14(9-12)21-4/h7-9H,5-6,10-11,17H2,1-4H3,(H,18,19).
What are the key properties of N-[2-(aminomethyl)-2-ethylbutyl]-3,4-dimethoxybenzamide?
N-[2-(aminomethyl)-2-ethylbutyl]-3,4-dimethoxybenzamide has a molecular weight of 294.40 g/mol, XLogP of 2.20, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(aminomethyl)-2-ethylbutyl]-3,4-dimethoxybenzamide is sourced from PubChem (CID 106250783), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).