N-(4-acetamido-3-methoxyphenyl)pyrrolidine-3-carboxamide;hydrochloride

C14H20ClN3O3 — CID 119713245

IUPACN-(4-acetamido-3-methoxyphenyl)pyrrolidine-3-carboxamide;hydrochloride
SMILESCOc1cc(NC(=O)C2CCNC2)ccc1NC(C)=O.Cl
InChIInChI=1S/C14H19N3O3.ClH/c1-9(18)16-12-4-3-11(7-13(12)20-2)17-14(19)10-5-6-15-8-10;/h3-4,7,10,15H,5-6,8H2,1-2H3,(H,16,18)(H,17,19);1H
InChIKeyHVSMNCGJSLUQST-UHFFFAOYSA-N
MW313.79 g/mol
LogP1.62
Rot. Bonds4

About N-(4-acetamido-3-methoxyphenyl)pyrrolidine-3-carboxamide;hydrochloride

N-(4-acetamido-3-methoxyphenyl)pyrrolidine-3-carboxamide;hydrochloride (PubChem CID 119713245) has the molecular formula C14H20ClN3O3 and a molecular weight of 313.79 g/mol. Its IUPAC name is N-(4-acetamido-3-methoxyphenyl)pyrrolidine-3-carboxamide;hydrochloride.

Molecular Properties

Compound NameN-(4-acetamido-3-methoxyphenyl)pyrrolidine-3-carboxamide;hydrochloride
PubChem CID119713245
Molecular FormulaC14H20ClN3O3
Molecular Weight313.79 g/mol
Exact Mass313.12
IUPAC NameN-(4-acetamido-3-methoxyphenyl)pyrrolidine-3-carboxamide;hydrochloride
SMILESCOc1cc(NC(=O)C2CCNC2)ccc1NC(C)=O.Cl
InChIInChI=1S/C14H19N3O3.ClH/c1-9(18)16-12-4-3-11(7-13(12)20-2)17-14(19)10-5-6-15-8-10;/h3-4,7,10,15H,5-6,8H2,1-2H3,(H,16,18)(H,17,19);1H
InChIKeyHVSMNCGJSLUQST-UHFFFAOYSA-N
XLogP1.62
TPSA79.46 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.79
LogP ≤ 51.62
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

N-(4-acetamido-3-methoxyphenyl)cyclohexanecarboxamide
CID 53491142
N-(3-fluoro-4-methoxyphenyl)pyrrolidine-3-carboxamide
CID 55151531
N-(2-methoxyphenyl)pyrrolidine-3-carboxamide;hydrochloride
CID 119670539
N-[4-(ethylsulfonylamino)-3-methoxyphenyl]piperidine-3-carboxamide;hydrochloride
CID 119298124
(3S)-N-(5-acetamido-2-methoxyphenyl)piperidine-3-carboxamide
CID 81119809
(3R)-N-(4-chloro-3-methoxyphenyl)piperidine-3-carboxamide
CID 107621709
N-(2,3,4-trimethoxyphenyl)pyrrolidine-3-carboxamide;hydrochloride
CID 119761624
N-(4-acetamido-3-methoxyphenyl)-3-aminocyclopentane-1-carboxamide
CID 66030500
N-[4-(ethylsulfonylamino)-3-methoxyphenyl]piperidine-4-carboxamide;hydrochloride
CID 119298110
methyl 4,5-dimethoxy-2-(pyrrolidine-3-carbonylamino)benzoate;hydrochloride
CID 119677781
(2S)-N-(4-acetamido-3-methoxyphenyl)piperidine-2-carboxamide
CID 103808843
N-(2-methoxy-4-nitrophenyl)pyrrolidine-3-carboxamide
CID 63007363

Frequently Asked Questions

What is the IUPAC name of N-(4-acetamido-3-methoxyphenyl)pyrrolidine-3-carboxamide;hydrochloride?
The IUPAC name of N-(4-acetamido-3-methoxyphenyl)pyrrolidine-3-carboxamide;hydrochloride (CID 119713245) is N-(4-acetamido-3-methoxyphenyl)pyrrolidine-3-carboxamide;hydrochloride.
What is the SMILES notation for N-(4-acetamido-3-methoxyphenyl)pyrrolidine-3-carboxamide;hydrochloride?
The canonical SMILES for N-(4-acetamido-3-methoxyphenyl)pyrrolidine-3-carboxamide;hydrochloride is COc1cc(NC(=O)C2CCNC2)ccc1NC(C)=O.Cl.
What is the InChIKey of N-(4-acetamido-3-methoxyphenyl)pyrrolidine-3-carboxamide;hydrochloride?
The InChIKey is HVSMNCGJSLUQST-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N3O3.ClH/c1-9(18)16-12-4-3-11(7-13(12)20-2)17-14(19)10-5-6-15-8-10;/h3-4,7,10,15H,5-6,8H2,1-2H3,(H,16,18)(H,17,19);1H.
What are the key properties of N-(4-acetamido-3-methoxyphenyl)pyrrolidine-3-carboxamide;hydrochloride?
N-(4-acetamido-3-methoxyphenyl)pyrrolidine-3-carboxamide;hydrochloride has a molecular weight of 313.79 g/mol, XLogP of 1.62, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-acetamido-3-methoxyphenyl)pyrrolidine-3-carboxamide;hydrochloride is sourced from PubChem (CID 119713245), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).