(2S)-N-[3-(diethylcarbamoyl)phenyl]pyrrolidine-2-carboxamide;hydrochloride

C16H24ClN3O2 — CID 119269061

IUPAC(2S)-N-[3-(diethylcarbamoyl)phenyl]pyrrolidine-2-carboxamide;hydrochloride
SMILESCCN(CC)C(=O)c1cccc(NC(=O)[C@@H]2CCCN2)c1.Cl
InChIInChI=1S/C16H23N3O2.ClH/c1-3-19(4-2)16(21)12-7-5-8-13(11-12)18-15(20)14-9-6-10-17-14;/h5,7-8,11,14,17H,3-4,6,9-10H2,1-2H3,(H,18,20);1H/t14-;/m0./s1
InChIKeyYSPJPLPCWKIWTQ-UQKRIMTDSA-N
MW325.84 g/mol
LogP2.28
Rot. Bonds5

About (2S)-N-[3-(diethylcarbamoyl)phenyl]pyrrolidine-2-carboxamide;hydrochloride

(2S)-N-[3-(diethylcarbamoyl)phenyl]pyrrolidine-2-carboxamide;hydrochloride (PubChem CID 119269061) has the molecular formula C16H24ClN3O2 and a molecular weight of 325.84 g/mol. Its IUPAC name is (2S)-N-[3-(diethylcarbamoyl)phenyl]pyrrolidine-2-carboxamide;hydrochloride.

Molecular Properties

Compound Name(2S)-N-[3-(diethylcarbamoyl)phenyl]pyrrolidine-2-carboxamide;hydrochloride
PubChem CID119269061
Molecular FormulaC16H24ClN3O2
Molecular Weight325.84 g/mol
Exact Mass325.16
IUPAC Name(2S)-N-[3-(diethylcarbamoyl)phenyl]pyrrolidine-2-carboxamide;hydrochloride
SMILESCCN(CC)C(=O)c1cccc(NC(=O)[C@@H]2CCCN2)c1.Cl
InChIInChI=1S/C16H23N3O2.ClH/c1-3-19(4-2)16(21)12-7-5-8-13(11-12)18-15(20)14-9-6-10-17-14;/h5,7-8,11,14,17H,3-4,6,9-10H2,1-2H3,(H,18,20);1H/t14-;/m0./s1
InChIKeyYSPJPLPCWKIWTQ-UQKRIMTDSA-N
XLogP2.28
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.84
LogP ≤ 52.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(3-carbamoylphenyl)pyrrolidine-2-carboxamide;hydrochloride
CID 119270285
1-N,4-N-bis[3-(diethylcarbamoyl)phenyl]cyclohexane-1,4-dicarboxamide
CID 17195088
(2S)-N-[3-(propylcarbamoyl)phenyl]piperidine-2-carboxamide;hydrochloride
CID 119712064
(2R)-N-[3-(propylcarbamoyl)phenyl]piperidine-2-carboxamide;hydrochloride
CID 119712042
N-[3-(methylcarbamoyl)phenyl]pyrrolidine-2-carboxamide
CID 60711040
N-[3-[[2-(dimethylamino)acetyl]amino]phenyl]pyrrolidine-2-carboxamide;dihydrochloride
CID 154912466
N-[3-(diethylaminomethyl)phenyl]pyrrolidine-2-carboxamide
CID 43433017
N-[3-(diethylcarbamoyl)phenyl]-1,2,3,4-tetrahydroisoquinoline-3-carboxamide
CID 119269057
3-[[(2R)-piperidine-2-carbonyl]amino]benzoic acid
CID 104913517
N-[3-(tert-butylcarbamoyl)phenyl]pyrrolidine-2-carboxamide
CID 119283635
N-[3-(3-ethoxypropylcarbamoyl)phenyl]pyrrolidine-2-carboxamide
CID 119286258
(2S)-N-(3-bromophenyl)pyrrolidine-2-carboxamide
CID 22691460

Frequently Asked Questions

What is the IUPAC name of (2S)-N-[3-(diethylcarbamoyl)phenyl]pyrrolidine-2-carboxamide;hydrochloride?
The IUPAC name of (2S)-N-[3-(diethylcarbamoyl)phenyl]pyrrolidine-2-carboxamide;hydrochloride (CID 119269061) is (2S)-N-[3-(diethylcarbamoyl)phenyl]pyrrolidine-2-carboxamide;hydrochloride.
What is the SMILES notation for (2S)-N-[3-(diethylcarbamoyl)phenyl]pyrrolidine-2-carboxamide;hydrochloride?
The canonical SMILES for (2S)-N-[3-(diethylcarbamoyl)phenyl]pyrrolidine-2-carboxamide;hydrochloride is CCN(CC)C(=O)c1cccc(NC(=O)[C@@H]2CCCN2)c1.Cl.
What is the InChIKey of (2S)-N-[3-(diethylcarbamoyl)phenyl]pyrrolidine-2-carboxamide;hydrochloride?
The InChIKey is YSPJPLPCWKIWTQ-UQKRIMTDSA-N. The full InChI is InChI=1S/C16H23N3O2.ClH/c1-3-19(4-2)16(21)12-7-5-8-13(11-12)18-15(20)14-9-6-10-17-14;/h5,7-8,11,14,17H,3-4,6,9-10H2,1-2H3,(H,18,20);1H/t14-;/m0./s1.
What are the key properties of (2S)-N-[3-(diethylcarbamoyl)phenyl]pyrrolidine-2-carboxamide;hydrochloride?
(2S)-N-[3-(diethylcarbamoyl)phenyl]pyrrolidine-2-carboxamide;hydrochloride has a molecular weight of 325.84 g/mol, XLogP of 2.28, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-N-[3-(diethylcarbamoyl)phenyl]pyrrolidine-2-carboxamide;hydrochloride is sourced from PubChem (CID 119269061), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).