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

C16H24ClN3O2 — CID 119287366

IUPACN-[[3-(propylcarbamoyl)phenyl]methyl]pyrrolidine-2-carboxamide;hydrochloride
SMILESCCCNC(=O)c1cccc(CNC(=O)C2CCCN2)c1.Cl
InChIInChI=1S/C16H23N3O2.ClH/c1-2-8-18-15(20)13-6-3-5-12(10-13)11-19-16(21)14-7-4-9-17-14;/h3,5-6,10,14,17H,2,4,7-9,11H2,1H3,(H,18,20)(H,19,21);1H
InChIKeyLTFYNAWRJWIIJR-UHFFFAOYSA-N
MW325.84 g/mol
LogP1.62
Rot. Bonds6

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

N-[[3-(propylcarbamoyl)phenyl]methyl]pyrrolidine-2-carboxamide;hydrochloride (PubChem CID 119287366) has the molecular formula C16H24ClN3O2 and a molecular weight of 325.84 g/mol. Its IUPAC name is N-[[3-(propylcarbamoyl)phenyl]methyl]pyrrolidine-2-carboxamide;hydrochloride.

Molecular Properties

Compound NameN-[[3-(propylcarbamoyl)phenyl]methyl]pyrrolidine-2-carboxamide;hydrochloride
PubChem CID119287366
Molecular FormulaC16H24ClN3O2
Molecular Weight325.84 g/mol
Exact Mass325.16
IUPAC NameN-[[3-(propylcarbamoyl)phenyl]methyl]pyrrolidine-2-carboxamide;hydrochloride
SMILESCCCNC(=O)c1cccc(CNC(=O)C2CCCN2)c1.Cl
InChIInChI=1S/C16H23N3O2.ClH/c1-2-8-18-15(20)13-6-3-5-12(10-13)11-19-16(21)14-7-4-9-17-14;/h3,5-6,10,14,17H,2,4,7-9,11H2,1H3,(H,18,20)(H,19,21);1H
InChIKeyLTFYNAWRJWIIJR-UHFFFAOYSA-N
XLogP1.62
TPSA70.23 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.84
LogP ≤ 51.62
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

N-[[3-(propylcarbamoyl)phenyl]methyl]-1,3-thiazolidine-4-carboxamide
CID 119287347
N-[[3-(propylcarbamoyl)phenyl]methyl]-2,3,3a,4,5,6,7,7a-octahydro-1H-indole-2-carboxamide;hydrochloride
CID 119287350
(2S)-N-[3-(propylcarbamoyl)phenyl]piperidine-2-carboxamide;hydrochloride
CID 119712064
(2R)-N-[3-(propylcarbamoyl)phenyl]piperidine-2-carboxamide;hydrochloride
CID 119712042
(2S)-N-[(3-carbamoylphenyl)methyl]piperidine-2-carboxamide;hydrochloride
CID 119719925
N-[(3-carbamoylphenyl)methyl]piperidine-2-carboxamide;hydrochloride
CID 119287429
3-[(piperidine-2-carbonylamino)methyl]benzoic acid
CID 61161692
N-[[3-(diethylaminomethyl)phenyl]methyl]piperidine-2-carboxamide;dihydrochloride
CID 119847432
(2S)-N-[(3-methoxyphenyl)methyl]pyrrolidine-2-carboxamide
CID 50944119
N-[(3,4-dimethylphenyl)methyl]pyrrolidine-2-carboxamide
CID 82495808
(2S)-N-[(3-ethoxyphenyl)methyl]piperidine-2-carboxamide;hydrochloride
CID 119714472
N-[(3-ethoxyphenyl)methyl]piperidine-2-carboxamide;hydrochloride
CID 119284494

Frequently Asked Questions

What is the IUPAC name of N-[[3-(propylcarbamoyl)phenyl]methyl]pyrrolidine-2-carboxamide;hydrochloride?
The IUPAC name of N-[[3-(propylcarbamoyl)phenyl]methyl]pyrrolidine-2-carboxamide;hydrochloride (CID 119287366) is N-[[3-(propylcarbamoyl)phenyl]methyl]pyrrolidine-2-carboxamide;hydrochloride.
What is the SMILES notation for N-[[3-(propylcarbamoyl)phenyl]methyl]pyrrolidine-2-carboxamide;hydrochloride?
The canonical SMILES for N-[[3-(propylcarbamoyl)phenyl]methyl]pyrrolidine-2-carboxamide;hydrochloride is CCCNC(=O)c1cccc(CNC(=O)C2CCCN2)c1.Cl.
What is the InChIKey of N-[[3-(propylcarbamoyl)phenyl]methyl]pyrrolidine-2-carboxamide;hydrochloride?
The InChIKey is LTFYNAWRJWIIJR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23N3O2.ClH/c1-2-8-18-15(20)13-6-3-5-12(10-13)11-19-16(21)14-7-4-9-17-14;/h3,5-6,10,14,17H,2,4,7-9,11H2,1H3,(H,18,20)(H,19,21);1H.
What are the key properties of N-[[3-(propylcarbamoyl)phenyl]methyl]pyrrolidine-2-carboxamide;hydrochloride?
N-[[3-(propylcarbamoyl)phenyl]methyl]pyrrolidine-2-carboxamide;hydrochloride has a molecular weight of 325.84 g/mol, XLogP of 1.62, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[3-(propylcarbamoyl)phenyl]methyl]pyrrolidine-2-carboxamide;hydrochloride is sourced from PubChem (CID 119287366), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).