3-[(5-amino-2-methylbenzoyl)amino]-N-ethylpyrrolidine-1-carboxamide;hydrochloride

C15H23ClN4O2 — CID 120638870

IUPAC3-[(5-amino-2-methylbenzoyl)amino]-N-ethylpyrrolidine-1-carboxamide;hydrochloride
SMILESCCNC(=O)N1CCC(NC(=O)c2cc(N)ccc2C)C1.Cl
InChIInChI=1S/C15H22N4O2.ClH/c1-3-17-15(21)19-7-6-12(9-19)18-14(20)13-8-11(16)5-4-10(13)2;/h4-5,8,12H,3,6-7,9,16H2,1-2H3,(H,17,21)(H,18,20);1H
InChIKeyZGPSKCZFSWPJHQ-UHFFFAOYSA-N
MW326.83 g/mol
LogP1.53
Rot. Bonds3

About 3-[(5-amino-2-methylbenzoyl)amino]-N-ethylpyrrolidine-1-carboxamide;hydrochloride

3-[(5-amino-2-methylbenzoyl)amino]-N-ethylpyrrolidine-1-carboxamide;hydrochloride (PubChem CID 120638870) has the molecular formula C15H23ClN4O2 and a molecular weight of 326.83 g/mol. Its IUPAC name is 3-[(5-amino-2-methylbenzoyl)amino]-N-ethylpyrrolidine-1-carboxamide;hydrochloride.

Molecular Properties

Compound Name3-[(5-amino-2-methylbenzoyl)amino]-N-ethylpyrrolidine-1-carboxamide;hydrochloride
PubChem CID120638870
Molecular FormulaC15H23ClN4O2
Molecular Weight326.83 g/mol
Exact Mass326.15
IUPAC Name3-[(5-amino-2-methylbenzoyl)amino]-N-ethylpyrrolidine-1-carboxamide;hydrochloride
SMILESCCNC(=O)N1CCC(NC(=O)c2cc(N)ccc2C)C1.Cl
InChIInChI=1S/C15H22N4O2.ClH/c1-3-17-15(21)19-7-6-12(9-19)18-14(20)13-8-11(16)5-4-10(13)2;/h4-5,8,12H,3,6-7,9,16H2,1-2H3,(H,17,21)(H,18,20);1H
InChIKeyZGPSKCZFSWPJHQ-UHFFFAOYSA-N
XLogP1.53
TPSA87.46 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.83
LogP ≤ 51.53
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

5-amino-2-methyl-N-[1-(3-methylbutanoyl)piperidin-4-yl]benzamide;hydrochloride
CID 120626448
5-amino-N-(4-ethylcyclohexyl)-2-methylbenzamide
CID 61466325
N-[1-(ethylcarbamoyl)pyrrolidin-3-yl]-2-propan-2-yl-1H-pyrrole-3-carboxamide
CID 154740001
5-amino-N-(4-carbamoylcyclohexyl)-2-methylbenzamide
CID 61291951
5-amino-N-(1-cyclopentylpiperidin-4-yl)-2-methylbenzamide
CID 120641743
3-[(2-aminoacetyl)amino]-N-ethylpyrrolidine-1-carboxamide
CID 119344677
5-amino-N-[1-(3-chlorophenyl)pyrrolidin-3-yl]-2-methylbenzamide;dihydrochloride
CID 120647736
N-[1-(5-amino-2-methylbenzoyl)piperidin-4-yl]-2-methylpropanamide
CID 120623742
5-amino-2-methyl-N-(1-methyl-6-oxopiperidin-3-yl)benzamide
CID 64655482
1-(5-amino-2-methylbenzoyl)-N-propylpiperidine-4-carboxamide
CID 120619834
5-amino-2-methyl-N-(9-methyl-9-azabicyclo[3.3.1]nonan-3-yl)benzamide;dihydrochloride
CID 120647242
5-amino-2-methyl-N-[[1-(2,2,2-trifluoroacetyl)piperidin-4-yl]methyl]benzamide;hydrochloride
CID 120636550

Frequently Asked Questions

What is the IUPAC name of 3-[(5-amino-2-methylbenzoyl)amino]-N-ethylpyrrolidine-1-carboxamide;hydrochloride?
The IUPAC name of 3-[(5-amino-2-methylbenzoyl)amino]-N-ethylpyrrolidine-1-carboxamide;hydrochloride (CID 120638870) is 3-[(5-amino-2-methylbenzoyl)amino]-N-ethylpyrrolidine-1-carboxamide;hydrochloride.
What is the SMILES notation for 3-[(5-amino-2-methylbenzoyl)amino]-N-ethylpyrrolidine-1-carboxamide;hydrochloride?
The canonical SMILES for 3-[(5-amino-2-methylbenzoyl)amino]-N-ethylpyrrolidine-1-carboxamide;hydrochloride is CCNC(=O)N1CCC(NC(=O)c2cc(N)ccc2C)C1.Cl.
What is the InChIKey of 3-[(5-amino-2-methylbenzoyl)amino]-N-ethylpyrrolidine-1-carboxamide;hydrochloride?
The InChIKey is ZGPSKCZFSWPJHQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N4O2.ClH/c1-3-17-15(21)19-7-6-12(9-19)18-14(20)13-8-11(16)5-4-10(13)2;/h4-5,8,12H,3,6-7,9,16H2,1-2H3,(H,17,21)(H,18,20);1H.
What are the key properties of 3-[(5-amino-2-methylbenzoyl)amino]-N-ethylpyrrolidine-1-carboxamide;hydrochloride?
3-[(5-amino-2-methylbenzoyl)amino]-N-ethylpyrrolidine-1-carboxamide;hydrochloride has a molecular weight of 326.83 g/mol, XLogP of 1.53, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(5-amino-2-methylbenzoyl)amino]-N-ethylpyrrolidine-1-carboxamide;hydrochloride is sourced from PubChem (CID 120638870), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).