N,N-bis(2-cyanoethyl)-1-(2-methylphenyl)-5-oxopyrrolidine-3-carboxamide

C18H20N4O2 — CID 17080781

IUPACN,N-bis(2-cyanoethyl)-1-(2-methylphenyl)-5-oxopyrrolidine-3-carboxamide
SMILESCc1ccccc1N1CC(C(=O)N(CCC#N)CCC#N)CC1=O
InChIInChI=1S/C18H20N4O2/c1-14-6-2-3-7-16(14)22-13-15(12-17(22)23)18(24)21(10-4-8-19)11-5-9-20/h2-3,6-7,15H,4-5,10-13H2,1H3
InChIKeyDEWBOXACSUPTIO-UHFFFAOYSA-N
MW324.38 g/mol
LogP2.00
Rot. Bonds6

About N,N-bis(2-cyanoethyl)-1-(2-methylphenyl)-5-oxopyrrolidine-3-carboxamide

N,N-bis(2-cyanoethyl)-1-(2-methylphenyl)-5-oxopyrrolidine-3-carboxamide (PubChem CID 17080781) has the molecular formula C18H20N4O2 and a molecular weight of 324.38 g/mol. Its IUPAC name is N,N-bis(2-cyanoethyl)-1-(2-methylphenyl)-5-oxopyrrolidine-3-carboxamide.

Molecular Properties

Compound NameN,N-bis(2-cyanoethyl)-1-(2-methylphenyl)-5-oxopyrrolidine-3-carboxamide
PubChem CID17080781
Molecular FormulaC18H20N4O2
Molecular Weight324.38 g/mol
Exact Mass324.16
IUPAC NameN,N-bis(2-cyanoethyl)-1-(2-methylphenyl)-5-oxopyrrolidine-3-carboxamide
SMILESCc1ccccc1N1CC(C(=O)N(CCC#N)CCC#N)CC1=O
InChIInChI=1S/C18H20N4O2/c1-14-6-2-3-7-16(14)22-13-15(12-17(22)23)18(24)21(10-4-8-19)11-5-9-20/h2-3,6-7,15H,4-5,10-13H2,1H3
InChIKeyDEWBOXACSUPTIO-UHFFFAOYSA-N
XLogP2.00
TPSA88.20 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.38
LogP ≤ 52.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

(3S)-N,N-diethyl-1-(2-methylphenyl)-5-oxopyrrolidine-3-carboxamide
CID 9350860
N-(2-cyanoethyl)-1-(2,3-dimethylphenyl)-N-(4-ethoxyphenyl)-5-oxopyrrolidine-3-carboxamide
CID 56534546
N-(2-cyanoethyl)-N-(furan-2-ylmethyl)-5-oxo-1-phenylpyrrolidine-3-carboxamide
CID 51103022
(3R)-N,N-bis(2-cyanoethyl)-1-cyclopentyl-5-oxopyrrolidine-3-carboxamide
CID 9364757
1-(2-methylphenyl)-4-(pyrrolidine-1-carbonyl)pyrrolidin-2-one
CID 17080667
(3R)-1-butyl-N,N-bis(2-cyanoethyl)-5-oxopyrrolidine-3-carboxamide
CID 9399767
1-(2-ethoxyphenyl)-N,N-diethyl-5-oxopyrrolidine-3-carboxamide
CID 18886165
N-butyl-N-ethyl-1-(2-ethylphenyl)-5-oxopyrrolidine-3-carboxamide
CID 17120415
2-[[1-(2-fluorophenyl)-5-oxopyrrolidine-3-carbonyl]-propylamino]acetic acid
CID 119205463
(3S)-N,N-bis(cyanomethyl)-1-(3,4-dimethylphenyl)-5-oxopyrrolidine-3-carboxamide
CID 9391934
(3R)-N-cyclopropyl-1-(2-methylphenyl)-5-oxopyrrolidine-3-carboxamide
CID 124523094
1-(2-methylphenyl)-5-oxo-N-pentan-3-ylpyrrolidine-3-carboxamide
CID 17080743

Frequently Asked Questions

What is the IUPAC name of N,N-bis(2-cyanoethyl)-1-(2-methylphenyl)-5-oxopyrrolidine-3-carboxamide?
The IUPAC name of N,N-bis(2-cyanoethyl)-1-(2-methylphenyl)-5-oxopyrrolidine-3-carboxamide (CID 17080781) is N,N-bis(2-cyanoethyl)-1-(2-methylphenyl)-5-oxopyrrolidine-3-carboxamide.
What is the SMILES notation for N,N-bis(2-cyanoethyl)-1-(2-methylphenyl)-5-oxopyrrolidine-3-carboxamide?
The canonical SMILES for N,N-bis(2-cyanoethyl)-1-(2-methylphenyl)-5-oxopyrrolidine-3-carboxamide is Cc1ccccc1N1CC(C(=O)N(CCC#N)CCC#N)CC1=O.
What is the InChIKey of N,N-bis(2-cyanoethyl)-1-(2-methylphenyl)-5-oxopyrrolidine-3-carboxamide?
The InChIKey is DEWBOXACSUPTIO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N4O2/c1-14-6-2-3-7-16(14)22-13-15(12-17(22)23)18(24)21(10-4-8-19)11-5-9-20/h2-3,6-7,15H,4-5,10-13H2,1H3.
What are the key properties of N,N-bis(2-cyanoethyl)-1-(2-methylphenyl)-5-oxopyrrolidine-3-carboxamide?
N,N-bis(2-cyanoethyl)-1-(2-methylphenyl)-5-oxopyrrolidine-3-carboxamide has a molecular weight of 324.38 g/mol, XLogP of 2.00, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-bis(2-cyanoethyl)-1-(2-methylphenyl)-5-oxopyrrolidine-3-carboxamide is sourced from PubChem (CID 17080781), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).