N-[2-methyl-5-(2-methylpropanoylamino)phenyl]pyrrolidine-3-carboxamide;hydrochloride

C16H24ClN3O2 — CID 119725791

IUPACN-[2-methyl-5-(2-methylpropanoylamino)phenyl]pyrrolidine-3-carboxamide;hydrochloride
SMILESCc1ccc(NC(=O)C(C)C)cc1NC(=O)C1CCNC1.Cl
InChIInChI=1S/C16H23N3O2.ClH/c1-10(2)15(20)18-13-5-4-11(3)14(8-13)19-16(21)12-6-7-17-9-12;/h4-5,8,10,12,17H,6-7,9H2,1-3H3,(H,18,20)(H,19,21);1H
InChIKeyMOKYVRQNEVUYEM-UHFFFAOYSA-N
MW325.84 g/mol
LogP2.56
Rot. Bonds4

About N-[2-methyl-5-(2-methylpropanoylamino)phenyl]pyrrolidine-3-carboxamide;hydrochloride

N-[2-methyl-5-(2-methylpropanoylamino)phenyl]pyrrolidine-3-carboxamide;hydrochloride (PubChem CID 119725791) has the molecular formula C16H24ClN3O2 and a molecular weight of 325.84 g/mol. Its IUPAC name is N-[2-methyl-5-(2-methylpropanoylamino)phenyl]pyrrolidine-3-carboxamide;hydrochloride.

Molecular Properties

Compound NameN-[2-methyl-5-(2-methylpropanoylamino)phenyl]pyrrolidine-3-carboxamide;hydrochloride
PubChem CID119725791
Molecular FormulaC16H24ClN3O2
Molecular Weight325.84 g/mol
Exact Mass325.16
IUPAC NameN-[2-methyl-5-(2-methylpropanoylamino)phenyl]pyrrolidine-3-carboxamide;hydrochloride
SMILESCc1ccc(NC(=O)C(C)C)cc1NC(=O)C1CCNC1.Cl
InChIInChI=1S/C16H23N3O2.ClH/c1-10(2)15(20)18-13-5-4-11(3)14(8-13)19-16(21)12-6-7-17-9-12;/h4-5,8,10,12,17H,6-7,9H2,1-3H3,(H,18,20)(H,19,21);1H
InChIKeyMOKYVRQNEVUYEM-UHFFFAOYSA-N
XLogP2.56
TPSA70.23 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.84
LogP ≤ 52.56
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

N-[4-(2-methylpropanoylamino)phenyl]pyrrolidine-3-carboxamide
CID 63006806
N-[2-methyl-5-(2-methylpropanoylamino)phenyl]morpholine-2-carboxamide
CID 119725786
3-amino-N-[2-methyl-5-(2-methylpropanoylamino)phenyl]cyclohexane-1-carboxamide;hydrochloride
CID 119725765
N-[4-(2-methylpropanoylamino)phenyl]piperidine-4-carboxamide;hydrochloride
CID 119268961
N-[2-methyl-5-(2-methylpropanoylamino)phenyl]-3-piperidin-4-ylbutanamide;hydrochloride
CID 119725781
(3R)-N-(2-methylphenyl)pyrrolidine-3-carboxamide
CID 94915623
N-[5-(2,2-dimethylpropanoylamino)-2-methylphenyl]piperidine-4-carboxamide
CID 119321946
N-[[4-(2-methylpropanoylamino)phenyl]methyl]pyrrolidine-3-carboxamide
CID 63005207
N-(5-acetamido-2-chlorophenyl)pyrrolidine-3-carboxamide;hydrochloride
CID 119707641
N-[3-(2,2-dimethylpropanoylamino)-4-methylphenyl]piperidine-4-carboxamide
CID 119321965
N-[3-(difluoromethoxy)-4-methylphenyl]pyrrolidine-3-carboxamide;hydrochloride
CID 119786762
N-(2,3-dimethylphenyl)pyrrolidine-3-carboxamide;hydrochloride
CID 119670575

Frequently Asked Questions

What is the IUPAC name of N-[2-methyl-5-(2-methylpropanoylamino)phenyl]pyrrolidine-3-carboxamide;hydrochloride?
The IUPAC name of N-[2-methyl-5-(2-methylpropanoylamino)phenyl]pyrrolidine-3-carboxamide;hydrochloride (CID 119725791) is N-[2-methyl-5-(2-methylpropanoylamino)phenyl]pyrrolidine-3-carboxamide;hydrochloride.
What is the SMILES notation for N-[2-methyl-5-(2-methylpropanoylamino)phenyl]pyrrolidine-3-carboxamide;hydrochloride?
The canonical SMILES for N-[2-methyl-5-(2-methylpropanoylamino)phenyl]pyrrolidine-3-carboxamide;hydrochloride is Cc1ccc(NC(=O)C(C)C)cc1NC(=O)C1CCNC1.Cl.
What is the InChIKey of N-[2-methyl-5-(2-methylpropanoylamino)phenyl]pyrrolidine-3-carboxamide;hydrochloride?
The InChIKey is MOKYVRQNEVUYEM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23N3O2.ClH/c1-10(2)15(20)18-13-5-4-11(3)14(8-13)19-16(21)12-6-7-17-9-12;/h4-5,8,10,12,17H,6-7,9H2,1-3H3,(H,18,20)(H,19,21);1H.
What are the key properties of N-[2-methyl-5-(2-methylpropanoylamino)phenyl]pyrrolidine-3-carboxamide;hydrochloride?
N-[2-methyl-5-(2-methylpropanoylamino)phenyl]pyrrolidine-3-carboxamide;hydrochloride has a molecular weight of 325.84 g/mol, XLogP of 2.56, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-methyl-5-(2-methylpropanoylamino)phenyl]pyrrolidine-3-carboxamide;hydrochloride is sourced from PubChem (CID 119725791), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).