2-ethyl-N-[2-methyl-4-(methylcarbamoyl)phenyl]pyrrolidine-2-carboxamide

C16H23N3O2 — CID 83063422

IUPAC2-ethyl-N-[2-methyl-4-(methylcarbamoyl)phenyl]pyrrolidine-2-carboxamide
SMILESCCC1(C(=O)Nc2ccc(C(=O)NC)cc2C)CCCN1
InChIInChI=1S/C16H23N3O2/c1-4-16(8-5-9-18-16)15(21)19-13-7-6-12(10-11(13)2)14(20)17-3/h6-7,10,18H,4-5,8-9H2,1-3H3,(H,17,20)(H,19,21)
InChIKeyLMIVZRZPLHHDCT-UHFFFAOYSA-N
MW289.38 g/mol
LogP1.83
Rot. Bonds4

About 2-ethyl-N-[2-methyl-4-(methylcarbamoyl)phenyl]pyrrolidine-2-carboxamide

2-ethyl-N-[2-methyl-4-(methylcarbamoyl)phenyl]pyrrolidine-2-carboxamide (PubChem CID 83063422) has the molecular formula C16H23N3O2 and a molecular weight of 289.38 g/mol. Its IUPAC name is 2-ethyl-N-[2-methyl-4-(methylcarbamoyl)phenyl]pyrrolidine-2-carboxamide.

Molecular Properties

Compound Name2-ethyl-N-[2-methyl-4-(methylcarbamoyl)phenyl]pyrrolidine-2-carboxamide
PubChem CID83063422
Molecular FormulaC16H23N3O2
Molecular Weight289.38 g/mol
Exact Mass289.18
IUPAC Name2-ethyl-N-[2-methyl-4-(methylcarbamoyl)phenyl]pyrrolidine-2-carboxamide
SMILESCCC1(C(=O)Nc2ccc(C(=O)NC)cc2C)CCCN1
InChIInChI=1S/C16H23N3O2/c1-4-16(8-5-9-18-16)15(21)19-13-7-6-12(10-11(13)2)14(20)17-3/h6-7,10,18H,4-5,8-9H2,1-3H3,(H,17,20)(H,19,21)
InChIKeyLMIVZRZPLHHDCT-UHFFFAOYSA-N
XLogP1.83
TPSA70.23 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.38
LogP ≤ 51.83
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

2-ethyl-N-(4-iodo-2-methylphenyl)pyrrolidine-2-carboxamide
CID 83071800
2-ethyl-N-(2-fluoro-4-methylphenyl)pyrrolidine-2-carboxamide
CID 83080609
3-[(2-ethylpyrrolidine-2-carbonyl)amino]-4-hydroxybenzoic acid
CID 107265136
N-(2-bromo-4-cyanophenyl)-2-ethylpyrrolidine-2-carboxamide
CID 83071648
N-[4-(methylcarbamoyl)phenyl]-2-propylpyrrolidine-2-carboxamide
CID 106974366
2-ethyl-N-(2-ethyl-6-methylphenyl)pyrrolidine-2-carboxamide
CID 83080160
2-ethyl-N-(2-methyl-6-propan-2-ylphenyl)pyrrolidine-2-carboxamide
CID 83079717
N-(2-chloro-6-methylphenyl)-2-ethylpyrrolidine-2-carboxamide
CID 83071716
N-(2-cyano-3-methylphenyl)-2-ethylpyrrolidine-2-carboxamide
CID 107805121
N-(4-chloro-2-methoxy-5-methylphenyl)-2-ethylpyrrolidine-2-carboxamide
CID 83080333
N-(3-chloro-4-hydroxyphenyl)-2-ethylpyrrolidine-2-carboxamide
CID 107679774
2-ethyl-N-(2-ethylsulfonylphenyl)pyrrolidine-2-carboxamide
CID 83063260

Frequently Asked Questions

What is the IUPAC name of 2-ethyl-N-[2-methyl-4-(methylcarbamoyl)phenyl]pyrrolidine-2-carboxamide?
The IUPAC name of 2-ethyl-N-[2-methyl-4-(methylcarbamoyl)phenyl]pyrrolidine-2-carboxamide (CID 83063422) is 2-ethyl-N-[2-methyl-4-(methylcarbamoyl)phenyl]pyrrolidine-2-carboxamide.
What is the SMILES notation for 2-ethyl-N-[2-methyl-4-(methylcarbamoyl)phenyl]pyrrolidine-2-carboxamide?
The canonical SMILES for 2-ethyl-N-[2-methyl-4-(methylcarbamoyl)phenyl]pyrrolidine-2-carboxamide is CCC1(C(=O)Nc2ccc(C(=O)NC)cc2C)CCCN1.
What is the InChIKey of 2-ethyl-N-[2-methyl-4-(methylcarbamoyl)phenyl]pyrrolidine-2-carboxamide?
The InChIKey is LMIVZRZPLHHDCT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23N3O2/c1-4-16(8-5-9-18-16)15(21)19-13-7-6-12(10-11(13)2)14(20)17-3/h6-7,10,18H,4-5,8-9H2,1-3H3,(H,17,20)(H,19,21).
What are the key properties of 2-ethyl-N-[2-methyl-4-(methylcarbamoyl)phenyl]pyrrolidine-2-carboxamide?
2-ethyl-N-[2-methyl-4-(methylcarbamoyl)phenyl]pyrrolidine-2-carboxamide has a molecular weight of 289.38 g/mol, XLogP of 1.83, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-N-[2-methyl-4-(methylcarbamoyl)phenyl]pyrrolidine-2-carboxamide is sourced from PubChem (CID 83063422), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).