N-[(3-carbamoylphenyl)methyl]-3-methylpyrrolidine-3-carboxamide;hydrochloride

C14H20ClN3O2 — CID 119719922

IUPACN-[(3-carbamoylphenyl)methyl]-3-methylpyrrolidine-3-carboxamide;hydrochloride
SMILESCC1(C(=O)NCc2cccc(C(N)=O)c2)CCNC1.Cl
InChIInChI=1S/C14H19N3O2.ClH/c1-14(5-6-16-9-14)13(19)17-8-10-3-2-4-11(7-10)12(15)18;/h2-4,7,16H,5-6,8-9H2,1H3,(H2,15,18)(H,17,19);1H
InChIKeyQQGFMMVKRXVWHO-UHFFFAOYSA-N
MW297.79 g/mol
LogP0.82
Rot. Bonds4

About N-[(3-carbamoylphenyl)methyl]-3-methylpyrrolidine-3-carboxamide;hydrochloride

N-[(3-carbamoylphenyl)methyl]-3-methylpyrrolidine-3-carboxamide;hydrochloride (PubChem CID 119719922) has the molecular formula C14H20ClN3O2 and a molecular weight of 297.79 g/mol. Its IUPAC name is N-[(3-carbamoylphenyl)methyl]-3-methylpyrrolidine-3-carboxamide;hydrochloride.

Molecular Properties

Compound NameN-[(3-carbamoylphenyl)methyl]-3-methylpyrrolidine-3-carboxamide;hydrochloride
PubChem CID119719922
Molecular FormulaC14H20ClN3O2
Molecular Weight297.79 g/mol
Exact Mass297.12
IUPAC NameN-[(3-carbamoylphenyl)methyl]-3-methylpyrrolidine-3-carboxamide;hydrochloride
SMILESCC1(C(=O)NCc2cccc(C(N)=O)c2)CCNC1.Cl
InChIInChI=1S/C14H19N3O2.ClH/c1-14(5-6-16-9-14)13(19)17-8-10-3-2-4-11(7-10)12(15)18;/h2-4,7,16H,5-6,8-9H2,1H3,(H2,15,18)(H,17,19);1H
InChIKeyQQGFMMVKRXVWHO-UHFFFAOYSA-N
XLogP0.82
TPSA84.22 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.79
LogP ≤ 50.82
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(3-carbamoylphenyl)methyl]-3-propylpyrrolidine-3-carboxamide
CID 63141619
N-[[3-(hydroxymethyl)phenyl]methyl]-3-methylpiperidine-3-carboxamide
CID 103822034
3-methyl-N-[(3-propan-2-yloxyphenyl)methyl]pyrrolidine-3-carboxamide;hydrochloride
CID 86780162
N-[(3-carbamoylphenyl)methyl]-3-ethylpiperidine-3-carboxamide
CID 63135121
N-[(3,4-dimethoxyphenyl)methyl]-3-methylpyrrolidine-3-carboxamide;hydrochloride
CID 119674836
N-[(3-carbamoylphenyl)methyl]-3-methyloxolane-3-carboxamide
CID 154739738
3-methyl-N-[(3-methylphenyl)methyl]piperidine-3-carboxamide;hydrochloride
CID 119944291
N-[[4-(hydroxymethyl)phenyl]methyl]-3-methylpyrrolidine-3-carboxamide
CID 107231126
N-[(3-chloro-4-fluorophenyl)methyl]-3-methylpyrrolidine-3-carboxamide;hydrochloride
CID 119707914
3-methyl-N-(thiophen-3-ylmethyl)pyrrolidine-3-carboxamide;hydrochloride
CID 119716336
N-[(3-chlorophenyl)methyl]-3-methylpiperidine-3-carboxamide
CID 63130190
N-[[3-(methoxymethyl)phenyl]methyl]-3-methylpiperidine-3-carboxamide
CID 63131521

Frequently Asked Questions

What is the IUPAC name of N-[(3-carbamoylphenyl)methyl]-3-methylpyrrolidine-3-carboxamide;hydrochloride?
The IUPAC name of N-[(3-carbamoylphenyl)methyl]-3-methylpyrrolidine-3-carboxamide;hydrochloride (CID 119719922) is N-[(3-carbamoylphenyl)methyl]-3-methylpyrrolidine-3-carboxamide;hydrochloride.
What is the SMILES notation for N-[(3-carbamoylphenyl)methyl]-3-methylpyrrolidine-3-carboxamide;hydrochloride?
The canonical SMILES for N-[(3-carbamoylphenyl)methyl]-3-methylpyrrolidine-3-carboxamide;hydrochloride is CC1(C(=O)NCc2cccc(C(N)=O)c2)CCNC1.Cl.
What is the InChIKey of N-[(3-carbamoylphenyl)methyl]-3-methylpyrrolidine-3-carboxamide;hydrochloride?
The InChIKey is QQGFMMVKRXVWHO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N3O2.ClH/c1-14(5-6-16-9-14)13(19)17-8-10-3-2-4-11(7-10)12(15)18;/h2-4,7,16H,5-6,8-9H2,1H3,(H2,15,18)(H,17,19);1H.
What are the key properties of N-[(3-carbamoylphenyl)methyl]-3-methylpyrrolidine-3-carboxamide;hydrochloride?
N-[(3-carbamoylphenyl)methyl]-3-methylpyrrolidine-3-carboxamide;hydrochloride has a molecular weight of 297.79 g/mol, XLogP of 0.82, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-carbamoylphenyl)methyl]-3-methylpyrrolidine-3-carboxamide;hydrochloride is sourced from PubChem (CID 119719922), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).