N-[3-[4-methyl-3-(2-oxoimidazolidin-1-yl)anilino]-3-oxopropyl]pyrrolidine-2-carboxamide

C18H25N5O3 — CID 166398472

IUPACN-[3-[4-methyl-3-(2-oxoimidazolidin-1-yl)anilino]-3-oxopropyl]pyrrolidine-2-carboxamide
SMILESCc1ccc(NC(=O)CCNC(=O)C2CCCN2)cc1N1CCNC1=O
InChIInChI=1S/C18H25N5O3/c1-12-4-5-13(11-15(12)23-10-9-21-18(23)26)22-16(24)6-8-20-17(25)14-3-2-7-19-14/h4-5,11,14,19H,2-3,6-10H2,1H3,(H,20,25)(H,21,26)(H,22,24)
InChIKeyQGBOKOSXDHGBNF-UHFFFAOYSA-N
MW359.43 g/mol
LogP0.72
Rot. Bonds6

About N-[3-[4-methyl-3-(2-oxoimidazolidin-1-yl)anilino]-3-oxopropyl]pyrrolidine-2-carboxamide

N-[3-[4-methyl-3-(2-oxoimidazolidin-1-yl)anilino]-3-oxopropyl]pyrrolidine-2-carboxamide (PubChem CID 166398472) has the molecular formula C18H25N5O3 and a molecular weight of 359.43 g/mol. Its IUPAC name is N-[3-[4-methyl-3-(2-oxoimidazolidin-1-yl)anilino]-3-oxopropyl]pyrrolidine-2-carboxamide.

Molecular Properties

Compound NameN-[3-[4-methyl-3-(2-oxoimidazolidin-1-yl)anilino]-3-oxopropyl]pyrrolidine-2-carboxamide
PubChem CID166398472
Molecular FormulaC18H25N5O3
Molecular Weight359.43 g/mol
Exact Mass359.20
IUPAC NameN-[3-[4-methyl-3-(2-oxoimidazolidin-1-yl)anilino]-3-oxopropyl]pyrrolidine-2-carboxamide
SMILESCc1ccc(NC(=O)CCNC(=O)C2CCCN2)cc1N1CCNC1=O
InChIInChI=1S/C18H25N5O3/c1-12-4-5-13(11-15(12)23-10-9-21-18(23)26)22-16(24)6-8-20-17(25)14-3-2-7-19-14/h4-5,11,14,19H,2-3,6-10H2,1H3,(H,20,25)(H,21,26)(H,22,24)
InChIKeyQGBOKOSXDHGBNF-UHFFFAOYSA-N
XLogP0.72
TPSA102.57 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.43
LogP ≤ 50.72
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

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Related Compounds

N-[3-(4-bromoanilino)-3-oxopropyl]piperidine-2-carboxamide
CID 119297979
N-[3-oxo-3-(pyridin-3-ylamino)propyl]pyrrolidine-2-carboxamide
CID 119873237
N-[3-oxo-3-(pyridin-3-ylamino)propyl]pyrrolidine-2-carboxamide;dihydrochloride
CID 119873236
N-[3-(2-chloro-4-methylanilino)-3-oxopropyl]pyrrolidine-2-carboxamide
CID 119317102
N-(3-anilino-3-oxopropyl)piperidine-2-carboxamide;hydrochloride
CID 119324861
N-[2-(4-bromo-3-methylanilino)-2-oxoethyl]pyrrolidine-2-carboxamide
CID 119312487
(2R)-N-[3-(2-oxoimidazolidin-1-yl)phenyl]pyrrolidine-2-carboxamide
CID 103795360
N-[3-methyl-4-(2-oxopyrrolidin-1-yl)phenyl]pyrrolidine-2-carboxamide
CID 60711549
(2R)-N-[3-(methylamino)-3-oxopropyl]pyrrolidine-2-carboxamide
CID 103795515
N-[2-(3-fluoroanilino)-2-oxoethyl]pyrrolidine-2-carboxamide
CID 119308747
N-[(3,4-dimethylphenyl)methyl]pyrrolidine-2-carboxamide
CID 82495808
N-(3-iodo-4-methylphenyl)pyrrolidine-2-carboxamide
CID 43233890

Frequently Asked Questions

What is the IUPAC name of N-[3-[4-methyl-3-(2-oxoimidazolidin-1-yl)anilino]-3-oxopropyl]pyrrolidine-2-carboxamide?
The IUPAC name of N-[3-[4-methyl-3-(2-oxoimidazolidin-1-yl)anilino]-3-oxopropyl]pyrrolidine-2-carboxamide (CID 166398472) is N-[3-[4-methyl-3-(2-oxoimidazolidin-1-yl)anilino]-3-oxopropyl]pyrrolidine-2-carboxamide.
What is the SMILES notation for N-[3-[4-methyl-3-(2-oxoimidazolidin-1-yl)anilino]-3-oxopropyl]pyrrolidine-2-carboxamide?
The canonical SMILES for N-[3-[4-methyl-3-(2-oxoimidazolidin-1-yl)anilino]-3-oxopropyl]pyrrolidine-2-carboxamide is Cc1ccc(NC(=O)CCNC(=O)C2CCCN2)cc1N1CCNC1=O.
What is the InChIKey of N-[3-[4-methyl-3-(2-oxoimidazolidin-1-yl)anilino]-3-oxopropyl]pyrrolidine-2-carboxamide?
The InChIKey is QGBOKOSXDHGBNF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25N5O3/c1-12-4-5-13(11-15(12)23-10-9-21-18(23)26)22-16(24)6-8-20-17(25)14-3-2-7-19-14/h4-5,11,14,19H,2-3,6-10H2,1H3,(H,20,25)(H,21,26)(H,22,24).
What are the key properties of N-[3-[4-methyl-3-(2-oxoimidazolidin-1-yl)anilino]-3-oxopropyl]pyrrolidine-2-carboxamide?
N-[3-[4-methyl-3-(2-oxoimidazolidin-1-yl)anilino]-3-oxopropyl]pyrrolidine-2-carboxamide has a molecular weight of 359.43 g/mol, XLogP of 0.72, 6 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[4-methyl-3-(2-oxoimidazolidin-1-yl)anilino]-3-oxopropyl]pyrrolidine-2-carboxamide is sourced from PubChem (CID 166398472), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).