3-N-cyclopropyl-1-N-ethyl-4-(2-methylphenyl)pyrrolidine-1,3-dicarboxamide

C18H25N3O2 — CID 42828595

IUPAC3-N-cyclopropyl-1-N-ethyl-4-(2-methylphenyl)pyrrolidine-1,3-dicarboxamide
SMILESCCNC(=O)N1CC(C(=O)NC2CC2)C(c2ccccc2C)C1
InChIInChI=1S/C18H25N3O2/c1-3-19-18(23)21-10-15(14-7-5-4-6-12(14)2)16(11-21)17(22)20-13-8-9-13/h4-7,13,15-16H,3,8-11H2,1-2H3,(H,19,23)(H,20,22)
InChIKeyBYFDPKWLEIRICA-UHFFFAOYSA-N
MW315.42 g/mol
LogP2.02
Rot. Bonds4

About 3-N-cyclopropyl-1-N-ethyl-4-(2-methylphenyl)pyrrolidine-1,3-dicarboxamide

3-N-cyclopropyl-1-N-ethyl-4-(2-methylphenyl)pyrrolidine-1,3-dicarboxamide (PubChem CID 42828595) has the molecular formula C18H25N3O2 and a molecular weight of 315.42 g/mol. Its IUPAC name is 3-N-cyclopropyl-1-N-ethyl-4-(2-methylphenyl)pyrrolidine-1,3-dicarboxamide.

Molecular Properties

Compound Name3-N-cyclopropyl-1-N-ethyl-4-(2-methylphenyl)pyrrolidine-1,3-dicarboxamide
PubChem CID42828595
Molecular FormulaC18H25N3O2
Molecular Weight315.42 g/mol
Exact Mass315.19
IUPAC Name3-N-cyclopropyl-1-N-ethyl-4-(2-methylphenyl)pyrrolidine-1,3-dicarboxamide
SMILESCCNC(=O)N1CC(C(=O)NC2CC2)C(c2ccccc2C)C1
InChIInChI=1S/C18H25N3O2/c1-3-19-18(23)21-10-15(14-7-5-4-6-12(14)2)16(11-21)17(22)20-13-8-9-13/h4-7,13,15-16H,3,8-11H2,1-2H3,(H,19,23)(H,20,22)
InChIKeyBYFDPKWLEIRICA-UHFFFAOYSA-N
XLogP2.02
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.42
LogP ≤ 52.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

3-N-cyclopropyl-1-N-ethyl-5-phenylpiperidine-1,3-dicarboxamide
CID 42865415
2-(2-methylphenyl)-N-pyrrolidin-3-ylcyclopropane-1-carboxamide;hydrochloride
CID 119453095
N-benzyl-1-(cyclopropanecarbonyl)-4-(2-methylphenyl)pyrrolidine-3-carboxamide
CID 42828575
N-cyclopropyl-3-[[2-(2-methylphenyl)cyclopropanecarbonyl]amino]cyclohexane-1-carboxamide
CID 71930187
(3S,4S)-1-(4-methylbenzoyl)-4-(2-methylphenyl)-N-propylpyrrolidine-3-carboxamide
CID 93152035
(3R,4S)-1-(cyclopropanecarbonyl)-N-cyclopropyl-4-(2-methoxyphenyl)pyrrolidine-3-carboxamide
CID 93151849
(3R,4S)-1-(2-chlorobenzoyl)-4-(2-methylphenyl)-N-propylpyrrolidine-3-carboxamide
CID 93152032
(3R,4R)-N-cyclopropyl-1-(4-fluorobenzoyl)-4-(2-methoxyphenyl)pyrrolidine-3-carboxamide
CID 93151820
(3S,4R)-1-(4-chlorobenzoyl)-N-(cyclopropylmethyl)-4-(2-methylphenyl)pyrrolidine-3-carboxamide
CID 93152077
(3S,4S)-N-(2-methoxyethyl)-1-(2-methylbenzoyl)-4-(2-methylphenyl)pyrrolidine-3-carboxamide
CID 93152688
N-cyclopropyl-1-(ethylcarbamothioyl)-4-(4-methoxyphenyl)pyrrolidine-3-carboxamide
CID 90488180
(3S,4R)-N-(2-methoxyethyl)-1-(2-methylbenzoyl)-4-(2-methylphenyl)pyrrolidine-3-carboxamide
CID 93152687

Frequently Asked Questions

What is the IUPAC name of 3-N-cyclopropyl-1-N-ethyl-4-(2-methylphenyl)pyrrolidine-1,3-dicarboxamide?
The IUPAC name of 3-N-cyclopropyl-1-N-ethyl-4-(2-methylphenyl)pyrrolidine-1,3-dicarboxamide (CID 42828595) is 3-N-cyclopropyl-1-N-ethyl-4-(2-methylphenyl)pyrrolidine-1,3-dicarboxamide.
What is the SMILES notation for 3-N-cyclopropyl-1-N-ethyl-4-(2-methylphenyl)pyrrolidine-1,3-dicarboxamide?
The canonical SMILES for 3-N-cyclopropyl-1-N-ethyl-4-(2-methylphenyl)pyrrolidine-1,3-dicarboxamide is CCNC(=O)N1CC(C(=O)NC2CC2)C(c2ccccc2C)C1.
What is the InChIKey of 3-N-cyclopropyl-1-N-ethyl-4-(2-methylphenyl)pyrrolidine-1,3-dicarboxamide?
The InChIKey is BYFDPKWLEIRICA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25N3O2/c1-3-19-18(23)21-10-15(14-7-5-4-6-12(14)2)16(11-21)17(22)20-13-8-9-13/h4-7,13,15-16H,3,8-11H2,1-2H3,(H,19,23)(H,20,22).
What are the key properties of 3-N-cyclopropyl-1-N-ethyl-4-(2-methylphenyl)pyrrolidine-1,3-dicarboxamide?
3-N-cyclopropyl-1-N-ethyl-4-(2-methylphenyl)pyrrolidine-1,3-dicarboxamide has a molecular weight of 315.42 g/mol, XLogP of 2.02, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-N-cyclopropyl-1-N-ethyl-4-(2-methylphenyl)pyrrolidine-1,3-dicarboxamide is sourced from PubChem (CID 42828595), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).