3-amino-N-[2-methyl-3-(pyrrolidine-1-carbonyl)phenyl]propanamide;hydrochloride

C15H22ClN3O2 — CID 119310023

IUPAC3-amino-N-[2-methyl-3-(pyrrolidine-1-carbonyl)phenyl]propanamide;hydrochloride
SMILESCc1c(NC(=O)CCN)cccc1C(=O)N1CCCC1.Cl
InChIInChI=1S/C15H21N3O2.ClH/c1-11-12(15(20)18-9-2-3-10-18)5-4-6-13(11)17-14(19)7-8-16;/h4-6H,2-3,7-10,16H2,1H3,(H,17,19);1H
InChIKeySSYIRQPNACRPKQ-UHFFFAOYSA-N
MW311.81 g/mol
LogP1.94
Rot. Bonds4

About 3-amino-N-[2-methyl-3-(pyrrolidine-1-carbonyl)phenyl]propanamide;hydrochloride

3-amino-N-[2-methyl-3-(pyrrolidine-1-carbonyl)phenyl]propanamide;hydrochloride (PubChem CID 119310023) has the molecular formula C15H22ClN3O2 and a molecular weight of 311.81 g/mol. Its IUPAC name is 3-amino-N-[2-methyl-3-(pyrrolidine-1-carbonyl)phenyl]propanamide;hydrochloride.

Molecular Properties

Compound Name3-amino-N-[2-methyl-3-(pyrrolidine-1-carbonyl)phenyl]propanamide;hydrochloride
PubChem CID119310023
Molecular FormulaC15H22ClN3O2
Molecular Weight311.81 g/mol
Exact Mass311.14
IUPAC Name3-amino-N-[2-methyl-3-(pyrrolidine-1-carbonyl)phenyl]propanamide;hydrochloride
SMILESCc1c(NC(=O)CCN)cccc1C(=O)N1CCCC1.Cl
InChIInChI=1S/C15H21N3O2.ClH/c1-11-12(15(20)18-9-2-3-10-18)5-4-6-13(11)17-14(19)7-8-16;/h4-6H,2-3,7-10,16H2,1H3,(H,17,19);1H
InChIKeySSYIRQPNACRPKQ-UHFFFAOYSA-N
XLogP1.94
TPSA75.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.81
LogP ≤ 51.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-amino-N-[2-methyl-3-(thiomorpholine-4-carbonyl)phenyl]propanamide;hydrochloride
CID 119310619
4-amino-N-[2-methyl-3-(pyrrolidine-1-carbonyl)phenyl]pentanamide
CID 120561704
2-(4-aminophenyl)-N-[2-methyl-3-(pyrrolidine-1-carbonyl)phenyl]acetamide
CID 119760315
2-cyano-N-[2-methyl-3-(pyrrolidine-1-carbonyl)phenyl]acetamide
CID 168521727
3-(2,4-dimethylphenyl)-N-[2-methyl-3-(pyrrolidine-1-carbonyl)phenyl]propanamide
CID 60610174
N-[2-methyl-3-(pyrrolidine-1-carbonyl)phenyl]-3-pyridin-2-ylpropanamide
CID 60610430
3-amino-N-[3-(6,7-dihydro-4H-thieno[3,2-c]pyridine-5-carbonyl)-2-methylphenyl]propanamide;hydrochloride
CID 119278974
7-amino-N-[2-(pyrrolidine-1-carbonyl)phenyl]heptanamide;hydrochloride
CID 119684692
3-(4-bromo-2-fluorophenyl)-N-[2-methyl-3-(pyrrolidine-1-carbonyl)phenyl]propanamide
CID 52815742
2-(1-hydroxycyclohexyl)-N-[2-methyl-3-(pyrrolidine-1-carbonyl)phenyl]acetamide
CID 111332036
3-amino-N-[5-chloro-2-(piperidine-1-carbonyl)phenyl]propanamide;hydrochloride
CID 119283028
2-amino-N-[2-(piperidine-1-carbonyl)phenyl]acetamide;hydrochloride
CID 119268834

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-[2-methyl-3-(pyrrolidine-1-carbonyl)phenyl]propanamide;hydrochloride?
The IUPAC name of 3-amino-N-[2-methyl-3-(pyrrolidine-1-carbonyl)phenyl]propanamide;hydrochloride (CID 119310023) is 3-amino-N-[2-methyl-3-(pyrrolidine-1-carbonyl)phenyl]propanamide;hydrochloride.
What is the SMILES notation for 3-amino-N-[2-methyl-3-(pyrrolidine-1-carbonyl)phenyl]propanamide;hydrochloride?
The canonical SMILES for 3-amino-N-[2-methyl-3-(pyrrolidine-1-carbonyl)phenyl]propanamide;hydrochloride is Cc1c(NC(=O)CCN)cccc1C(=O)N1CCCC1.Cl.
What is the InChIKey of 3-amino-N-[2-methyl-3-(pyrrolidine-1-carbonyl)phenyl]propanamide;hydrochloride?
The InChIKey is SSYIRQPNACRPKQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N3O2.ClH/c1-11-12(15(20)18-9-2-3-10-18)5-4-6-13(11)17-14(19)7-8-16;/h4-6H,2-3,7-10,16H2,1H3,(H,17,19);1H.
What are the key properties of 3-amino-N-[2-methyl-3-(pyrrolidine-1-carbonyl)phenyl]propanamide;hydrochloride?
3-amino-N-[2-methyl-3-(pyrrolidine-1-carbonyl)phenyl]propanamide;hydrochloride has a molecular weight of 311.81 g/mol, XLogP of 1.94, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-[2-methyl-3-(pyrrolidine-1-carbonyl)phenyl]propanamide;hydrochloride is sourced from PubChem (CID 119310023), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).