2-(2,2-dimethylpropanoylamino)-4,5-dimethoxy-N-pyrrolidin-3-ylbenzamide;hydrochloride

C18H28ClN3O4 — CID 119454167

IUPAC2-(2,2-dimethylpropanoylamino)-4,5-dimethoxy-N-pyrrolidin-3-ylbenzamide;hydrochloride
SMILESCOc1cc(NC(=O)C(C)(C)C)c(C(=O)NC2CCNC2)cc1OC.Cl
InChIInChI=1S/C18H27N3O4.ClH/c1-18(2,3)17(23)21-13-9-15(25-5)14(24-4)8-12(13)16(22)20-11-6-7-19-10-11;/h8-9,11,19H,6-7,10H2,1-5H3,(H,20,22)(H,21,23);1H
InChIKeyNELJHLZBUMAZSC-UHFFFAOYSA-N
MW385.89 g/mol
LogP2.20
Rot. Bonds5

About 2-(2,2-dimethylpropanoylamino)-4,5-dimethoxy-N-pyrrolidin-3-ylbenzamide;hydrochloride

2-(2,2-dimethylpropanoylamino)-4,5-dimethoxy-N-pyrrolidin-3-ylbenzamide;hydrochloride (PubChem CID 119454167) has the molecular formula C18H28ClN3O4 and a molecular weight of 385.89 g/mol. Its IUPAC name is 2-(2,2-dimethylpropanoylamino)-4,5-dimethoxy-N-pyrrolidin-3-ylbenzamide;hydrochloride.

Molecular Properties

Compound Name2-(2,2-dimethylpropanoylamino)-4,5-dimethoxy-N-pyrrolidin-3-ylbenzamide;hydrochloride
PubChem CID119454167
Molecular FormulaC18H28ClN3O4
Molecular Weight385.89 g/mol
Exact Mass385.18
IUPAC Name2-(2,2-dimethylpropanoylamino)-4,5-dimethoxy-N-pyrrolidin-3-ylbenzamide;hydrochloride
SMILESCOc1cc(NC(=O)C(C)(C)C)c(C(=O)NC2CCNC2)cc1OC.Cl
InChIInChI=1S/C18H27N3O4.ClH/c1-18(2,3)17(23)21-13-9-15(25-5)14(24-4)8-12(13)16(22)20-11-6-7-19-10-11;/h8-9,11,19H,6-7,10H2,1-5H3,(H,20,22)(H,21,23);1H
InChIKeyNELJHLZBUMAZSC-UHFFFAOYSA-N
XLogP2.20
TPSA88.69 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.89
LogP ≤ 52.20
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Analyze 2-(2,2-dimethylpropanoylamino)-4,5-dimethoxy-N-pyrrolidin-3-ylbenzamide;hydrochloride 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

2-(2,2-dimethylpropanoylamino)-N-pyrrolidin-3-ylbenzamide;hydrochloride
CID 119453622
2,4,5-trimethoxy-N-piperidin-3-ylbenzamide;hydrochloride
CID 119426612
methyl 4,5-dimethoxy-2-(pyrrolidine-3-carbonylamino)benzoate;hydrochloride
CID 119677781
N-[2-(aminomethyl)cyclopentyl]-2-(2,2-dimethylpropanoylamino)-4,5-dimethoxybenzamide
CID 119605106
2-(2,2-dimethylpropanoylamino)-4,5-dimethoxybenzoate
CID 6926632
4,5-dimethoxy-2-nitro-N-piperidin-3-ylbenzamide;hydrochloride
CID 119427739
N-(2-amino-2-methylpropyl)-2-(2,2-dimethylpropanoylamino)-4,5-dimethoxybenzamide
CID 119630528
4-ethoxy-5-methoxy-2-nitro-N-pyrrolidin-3-ylbenzamide;hydrochloride
CID 119450881
(2S)-2-[[2-(2,2-dimethylpropanoylamino)-4,5-dimethoxybenzoyl]amino]propanoic acid
CID 119943103
N-(2-fluoro-4,5-dimethoxyphenyl)pyrrolidine-3-carboxamide;hydrochloride
CID 119778132
methyl 4,5-dimethoxy-2-(piperidine-3-carbonylamino)benzoate;hydrochloride
CID 119265013
2,2-dimethyl-N-[(3R)-pyrrolidin-3-yl]propanamide
CID 58468710

Frequently Asked Questions

What is the IUPAC name of 2-(2,2-dimethylpropanoylamino)-4,5-dimethoxy-N-pyrrolidin-3-ylbenzamide;hydrochloride?
The IUPAC name of 2-(2,2-dimethylpropanoylamino)-4,5-dimethoxy-N-pyrrolidin-3-ylbenzamide;hydrochloride (CID 119454167) is 2-(2,2-dimethylpropanoylamino)-4,5-dimethoxy-N-pyrrolidin-3-ylbenzamide;hydrochloride.
What is the SMILES notation for 2-(2,2-dimethylpropanoylamino)-4,5-dimethoxy-N-pyrrolidin-3-ylbenzamide;hydrochloride?
The canonical SMILES for 2-(2,2-dimethylpropanoylamino)-4,5-dimethoxy-N-pyrrolidin-3-ylbenzamide;hydrochloride is COc1cc(NC(=O)C(C)(C)C)c(C(=O)NC2CCNC2)cc1OC.Cl.
What is the InChIKey of 2-(2,2-dimethylpropanoylamino)-4,5-dimethoxy-N-pyrrolidin-3-ylbenzamide;hydrochloride?
The InChIKey is NELJHLZBUMAZSC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H27N3O4.ClH/c1-18(2,3)17(23)21-13-9-15(25-5)14(24-4)8-12(13)16(22)20-11-6-7-19-10-11;/h8-9,11,19H,6-7,10H2,1-5H3,(H,20,22)(H,21,23);1H.
What are the key properties of 2-(2,2-dimethylpropanoylamino)-4,5-dimethoxy-N-pyrrolidin-3-ylbenzamide;hydrochloride?
2-(2,2-dimethylpropanoylamino)-4,5-dimethoxy-N-pyrrolidin-3-ylbenzamide;hydrochloride has a molecular weight of 385.89 g/mol, XLogP of 2.20, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,2-dimethylpropanoylamino)-4,5-dimethoxy-N-pyrrolidin-3-ylbenzamide;hydrochloride is sourced from PubChem (CID 119454167), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).