N-cyclopropyl-1-[3-(2,4-dimethylphenyl)propanoyl]pyrrolidine-2-carboxamide

C19H26N2O2 — CID 86924438

IUPACN-cyclopropyl-1-[3-(2,4-dimethylphenyl)propanoyl]pyrrolidine-2-carboxamide
SMILESCc1ccc(CCC(=O)N2CCCC2C(=O)NC2CC2)c(C)c1
InChIInChI=1S/C19H26N2O2/c1-13-5-6-15(14(2)12-13)7-10-18(22)21-11-3-4-17(21)19(23)20-16-8-9-16/h5-6,12,16-17H,3-4,7-11H2,1-2H3,(H,20,23)
InChIKeyVDQVIPULEUOVOE-UHFFFAOYSA-N
MW314.43 g/mol
LogP2.51
Rot. Bonds5

About N-cyclopropyl-1-[3-(2,4-dimethylphenyl)propanoyl]pyrrolidine-2-carboxamide

N-cyclopropyl-1-[3-(2,4-dimethylphenyl)propanoyl]pyrrolidine-2-carboxamide (PubChem CID 86924438) has the molecular formula C19H26N2O2 and a molecular weight of 314.43 g/mol. Its IUPAC name is N-cyclopropyl-1-[3-(2,4-dimethylphenyl)propanoyl]pyrrolidine-2-carboxamide.

Molecular Properties

Compound NameN-cyclopropyl-1-[3-(2,4-dimethylphenyl)propanoyl]pyrrolidine-2-carboxamide
PubChem CID86924438
Molecular FormulaC19H26N2O2
Molecular Weight314.43 g/mol
Exact Mass314.20
IUPAC NameN-cyclopropyl-1-[3-(2,4-dimethylphenyl)propanoyl]pyrrolidine-2-carboxamide
SMILESCc1ccc(CCC(=O)N2CCCC2C(=O)NC2CC2)c(C)c1
InChIInChI=1S/C19H26N2O2/c1-13-5-6-15(14(2)12-13)7-10-18(22)21-11-3-4-17(21)19(23)20-16-8-9-16/h5-6,12,16-17H,3-4,7-11H2,1-2H3,(H,20,23)
InChIKeyVDQVIPULEUOVOE-UHFFFAOYSA-N
XLogP2.51
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.43
LogP ≤ 52.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[(2,4-dimethylphenyl)methyl]-1-[3-(3-methyl-1,2-oxazol-5-yl)propanoyl]pyrrolidine-2-carboxamide
CID 146358308
(2S)-1-butanoyl-N-cyclopropylpyrrolidine-2-carboxamide
CID 142833452
3-(2,4-dimethylphenyl)-1-[3-(methylamino)piperidin-1-yl]propan-1-one
CID 119488419
(4aR,7aS)-1-[3-(2,4-dimethylphenyl)propanoyl]-3,4,4a,6,7,7a-hexahydro-2H-pyrrolo[3,4-b]pyridin-5-one
CID 100697363
1-(2-bromo-5-methylbenzoyl)-N-cyclopropylpyrrolidine-2-carboxamide
CID 80973644
N-cyclopropyl-1-(2-methoxyacetyl)pyrrolidine-2-carboxamide
CID 60733576
1-(3-aminopropanoyl)-N-cyclopropylpyrrolidine-2-carboxamide
CID 60939858
N-cyclopropyl-1-(2-phenylacetyl)pyrrolidine-2-carboxamide
CID 47164597
N-cyclopropyl-1-[3-(3,5-dimethyl-1,2-oxazol-4-yl)propanoyl]pyrrolidine-2-carboxamide
CID 86924416
(2S)-N-(4-benzamidocyclohexyl)-1-(3-phenylpropanoyl)pyrrolidine-2-carboxamide
CID 51071444
(2R)-N-(4-benzamidocyclohexyl)-1-(3-phenylpropanoyl)pyrrolidine-2-carboxamide
CID 46105589
N-[1-[3-(2,4-dimethylphenyl)propanoyl]piperidin-4-yl]benzamide
CID 24575452

Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-1-[3-(2,4-dimethylphenyl)propanoyl]pyrrolidine-2-carboxamide?
The IUPAC name of N-cyclopropyl-1-[3-(2,4-dimethylphenyl)propanoyl]pyrrolidine-2-carboxamide (CID 86924438) is N-cyclopropyl-1-[3-(2,4-dimethylphenyl)propanoyl]pyrrolidine-2-carboxamide.
What is the SMILES notation for N-cyclopropyl-1-[3-(2,4-dimethylphenyl)propanoyl]pyrrolidine-2-carboxamide?
The canonical SMILES for N-cyclopropyl-1-[3-(2,4-dimethylphenyl)propanoyl]pyrrolidine-2-carboxamide is Cc1ccc(CCC(=O)N2CCCC2C(=O)NC2CC2)c(C)c1.
What is the InChIKey of N-cyclopropyl-1-[3-(2,4-dimethylphenyl)propanoyl]pyrrolidine-2-carboxamide?
The InChIKey is VDQVIPULEUOVOE-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H26N2O2/c1-13-5-6-15(14(2)12-13)7-10-18(22)21-11-3-4-17(21)19(23)20-16-8-9-16/h5-6,12,16-17H,3-4,7-11H2,1-2H3,(H,20,23).
What are the key properties of N-cyclopropyl-1-[3-(2,4-dimethylphenyl)propanoyl]pyrrolidine-2-carboxamide?
N-cyclopropyl-1-[3-(2,4-dimethylphenyl)propanoyl]pyrrolidine-2-carboxamide has a molecular weight of 314.43 g/mol, XLogP of 2.51, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-1-[3-(2,4-dimethylphenyl)propanoyl]pyrrolidine-2-carboxamide is sourced from PubChem (CID 86924438), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).