3-ethyl-N-[[4-(methylcarbamoyl)phenyl]methyl]pyrrolidine-3-carboxamide

C16H23N3O2 — CID 63141479

IUPAC3-ethyl-N-[[4-(methylcarbamoyl)phenyl]methyl]pyrrolidine-3-carboxamide
SMILESCCC1(C(=O)NCc2ccc(C(=O)NC)cc2)CCNC1
InChIInChI=1S/C16H23N3O2/c1-3-16(8-9-18-11-16)15(21)19-10-12-4-6-13(7-5-12)14(20)17-2/h4-7,18H,3,8-11H2,1-2H3,(H,17,20)(H,19,21)
InChIKeyPHPPXHLMDZEFHL-UHFFFAOYSA-N
MW289.38 g/mol
LogP1.05
Rot. Bonds5

About 3-ethyl-N-[[4-(methylcarbamoyl)phenyl]methyl]pyrrolidine-3-carboxamide

3-ethyl-N-[[4-(methylcarbamoyl)phenyl]methyl]pyrrolidine-3-carboxamide (PubChem CID 63141479) has the molecular formula C16H23N3O2 and a molecular weight of 289.38 g/mol. Its IUPAC name is 3-ethyl-N-[[4-(methylcarbamoyl)phenyl]methyl]pyrrolidine-3-carboxamide.

Molecular Properties

Compound Name3-ethyl-N-[[4-(methylcarbamoyl)phenyl]methyl]pyrrolidine-3-carboxamide
PubChem CID63141479
Molecular FormulaC16H23N3O2
Molecular Weight289.38 g/mol
Exact Mass289.18
IUPAC Name3-ethyl-N-[[4-(methylcarbamoyl)phenyl]methyl]pyrrolidine-3-carboxamide
SMILESCCC1(C(=O)NCc2ccc(C(=O)NC)cc2)CCNC1
InChIInChI=1S/C16H23N3O2/c1-3-16(8-9-18-11-16)15(21)19-10-12-4-6-13(7-5-12)14(20)17-2/h4-7,18H,3,8-11H2,1-2H3,(H,17,20)(H,19,21)
InChIKeyPHPPXHLMDZEFHL-UHFFFAOYSA-N
XLogP1.05
TPSA70.23 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.38
LogP ≤ 51.05
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(4-bromophenyl)methyl]-3-ethylpyrrolidine-3-carboxamide
CID 55166669
4-[[(4-ethylpiperidine-4-carbonyl)amino]methyl]benzoic acid
CID 63128895
3-ethyl-N-[(4-nitrophenyl)methyl]pyrrolidine-3-carboxamide
CID 63140077
3-ethyl-N-(1H-pyrrol-3-ylmethyl)pyrrolidine-3-carboxamide
CID 106384775
4-[[[1-(aminomethyl)cyclopropanecarbonyl]amino]methyl]-N-methylbenzamide
CID 115453093
4-methoxy-N-[[4-(methylcarbamoyl)phenyl]methyl]piperidine-4-carboxamide;hydrochloride
CID 119712888
3-ethyl-N-[(3-fluorophenyl)methyl]pyrrolidine-3-carboxamide
CID 55165134
3-ethyl-N-[[3-(hydroxymethyl)phenyl]methyl]piperidine-3-carboxamide
CID 107218375
4-[[(1-aminocyclohexanecarbonyl)amino]methyl]-N-methylbenzamide;hydrochloride
CID 119283610
3-ethyl-N-(furan-2-ylmethyl)pyrrolidine-3-carboxamide
CID 63140952
N-[(2-bromophenyl)methyl]-3-ethylpyrrolidine-3-carboxamide
CID 63141717
N-[[4-(ethylcarbamoyl)phenyl]methyl]-4-(methoxymethyl)piperidine-4-carboxamide;hydrochloride
CID 120621041

Frequently Asked Questions

What is the IUPAC name of 3-ethyl-N-[[4-(methylcarbamoyl)phenyl]methyl]pyrrolidine-3-carboxamide?
The IUPAC name of 3-ethyl-N-[[4-(methylcarbamoyl)phenyl]methyl]pyrrolidine-3-carboxamide (CID 63141479) is 3-ethyl-N-[[4-(methylcarbamoyl)phenyl]methyl]pyrrolidine-3-carboxamide.
What is the SMILES notation for 3-ethyl-N-[[4-(methylcarbamoyl)phenyl]methyl]pyrrolidine-3-carboxamide?
The canonical SMILES for 3-ethyl-N-[[4-(methylcarbamoyl)phenyl]methyl]pyrrolidine-3-carboxamide is CCC1(C(=O)NCc2ccc(C(=O)NC)cc2)CCNC1.
What is the InChIKey of 3-ethyl-N-[[4-(methylcarbamoyl)phenyl]methyl]pyrrolidine-3-carboxamide?
The InChIKey is PHPPXHLMDZEFHL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23N3O2/c1-3-16(8-9-18-11-16)15(21)19-10-12-4-6-13(7-5-12)14(20)17-2/h4-7,18H,3,8-11H2,1-2H3,(H,17,20)(H,19,21).
What are the key properties of 3-ethyl-N-[[4-(methylcarbamoyl)phenyl]methyl]pyrrolidine-3-carboxamide?
3-ethyl-N-[[4-(methylcarbamoyl)phenyl]methyl]pyrrolidine-3-carboxamide has a molecular weight of 289.38 g/mol, XLogP of 1.05, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyl-N-[[4-(methylcarbamoyl)phenyl]methyl]pyrrolidine-3-carboxamide is sourced from PubChem (CID 63141479), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).