N-(3-amino-2,2-dimethylpropyl)-3,4,5-triethoxy-N-methylbenzamide

C19H32N2O4 — CID 119653583

IUPACN-(3-amino-2,2-dimethylpropyl)-3,4,5-triethoxy-N-methylbenzamide
SMILESCCOc1cc(C(=O)N(C)CC(C)(C)CN)cc(OCC)c1OCC
InChIInChI=1S/C19H32N2O4/c1-7-23-15-10-14(11-16(24-8-2)17(15)25-9-3)18(22)21(6)13-19(4,5)12-20/h10-11H,7-9,12-13,20H2,1-6H3
InChIKeyHIZQDZGOGKMYQW-UHFFFAOYSA-N
MW352.48 g/mol
LogP2.94
Rot. Bonds10

About N-(3-amino-2,2-dimethylpropyl)-3,4,5-triethoxy-N-methylbenzamide

N-(3-amino-2,2-dimethylpropyl)-3,4,5-triethoxy-N-methylbenzamide (PubChem CID 119653583) has the molecular formula C19H32N2O4 and a molecular weight of 352.48 g/mol. Its IUPAC name is N-(3-amino-2,2-dimethylpropyl)-3,4,5-triethoxy-N-methylbenzamide.

Molecular Properties

Compound NameN-(3-amino-2,2-dimethylpropyl)-3,4,5-triethoxy-N-methylbenzamide
PubChem CID119653583
Molecular FormulaC19H32N2O4
Molecular Weight352.48 g/mol
Exact Mass352.24
IUPAC NameN-(3-amino-2,2-dimethylpropyl)-3,4,5-triethoxy-N-methylbenzamide
SMILESCCOc1cc(C(=O)N(C)CC(C)(C)CN)cc(OCC)c1OCC
InChIInChI=1S/C19H32N2O4/c1-7-23-15-10-14(11-16(24-8-2)17(15)25-9-3)18(22)21(6)13-19(4,5)12-20/h10-11H,7-9,12-13,20H2,1-6H3
InChIKeyHIZQDZGOGKMYQW-UHFFFAOYSA-N
XLogP2.94
TPSA74.02 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.48
LogP ≤ 52.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze N-(3-amino-2,2-dimethylpropyl)-3,4,5-triethoxy-N-methylbenzamide 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-(3-amino-2,2-dimethylpropyl)-3,5-dichloro-N-methylbenzamide
CID 79653062
N-(3-amino-2,2-dimethylpropyl)-2-ethoxy-3-fluoro-N-methylbenzamide
CID 119652887
N-(3-amino-2,2-dimethylpropyl)-3-bromo-5-chloro-N-methylbenzamide
CID 114018521
4-N-(3-amino-2,2-dimethylpropyl)-4-N-methylbenzene-1,4-dicarboxamide
CID 119656143
N-(3-amino-2,2-dimethylpropyl)-5-methoxy-N-methyl-2,3-dihydro-1,4-benzodioxine-7-carboxamide;hydrochloride
CID 119656792
N-(3-amino-2,2-dimethylpropyl)-4-(2-methoxyethoxy)-N-methylbenzamide
CID 119654669
N-(3-amino-2,2-dimethylpropyl)-N,3-dimethyl-[1,2]oxazolo[5,4-b]pyridine-5-carboxamide
CID 119653779
N-(3-amino-2,2-dimethylpropyl)-4-(2-ethoxyphenoxy)-N-methylbutanamide
CID 119656853
N-(3-amino-2,2-dimethylpropyl)-N-methylpyridine-4-carboxamide;dihydrochloride
CID 119653576
3-N-(3-amino-2,2-dimethylpropyl)-1-N,1-N,3-N-trimethylbenzene-1,3-dicarboxamide;hydrochloride
CID 119657069
N-(3-amino-2,2-dimethylpropyl)-N,3-dimethyl-[1,2]oxazolo[5,4-b]pyridine-5-carboxamide;hydrochloride
CID 119653778
N-(3-amino-2,2-dimethylpropyl)-3-fluoro-N-methyl-5-(trifluoromethyl)benzamide
CID 119657221

Frequently Asked Questions

What is the IUPAC name of N-(3-amino-2,2-dimethylpropyl)-3,4,5-triethoxy-N-methylbenzamide?
The IUPAC name of N-(3-amino-2,2-dimethylpropyl)-3,4,5-triethoxy-N-methylbenzamide (CID 119653583) is N-(3-amino-2,2-dimethylpropyl)-3,4,5-triethoxy-N-methylbenzamide.
What is the SMILES notation for N-(3-amino-2,2-dimethylpropyl)-3,4,5-triethoxy-N-methylbenzamide?
The canonical SMILES for N-(3-amino-2,2-dimethylpropyl)-3,4,5-triethoxy-N-methylbenzamide is CCOc1cc(C(=O)N(C)CC(C)(C)CN)cc(OCC)c1OCC.
What is the InChIKey of N-(3-amino-2,2-dimethylpropyl)-3,4,5-triethoxy-N-methylbenzamide?
The InChIKey is HIZQDZGOGKMYQW-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H32N2O4/c1-7-23-15-10-14(11-16(24-8-2)17(15)25-9-3)18(22)21(6)13-19(4,5)12-20/h10-11H,7-9,12-13,20H2,1-6H3.
What are the key properties of N-(3-amino-2,2-dimethylpropyl)-3,4,5-triethoxy-N-methylbenzamide?
N-(3-amino-2,2-dimethylpropyl)-3,4,5-triethoxy-N-methylbenzamide has a molecular weight of 352.48 g/mol, XLogP of 2.94, 10 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-amino-2,2-dimethylpropyl)-3,4,5-triethoxy-N-methylbenzamide is sourced from PubChem (CID 119653583), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).