N-cyclopropyl-4-[[3-[(2-oxopyrrolidin-1-yl)methyl]phenyl]methylcarbamoylamino]benzamide

C23H26N4O3 — CID 112825341

IUPACN-cyclopropyl-4-[[3-[(2-oxopyrrolidin-1-yl)methyl]phenyl]methylcarbamoylamino]benzamide
SMILESO=C(NCc1cccc(CN2CCCC2=O)c1)Nc1ccc(C(=O)NC2CC2)cc1
InChIInChI=1S/C23H26N4O3/c28-21-5-2-12-27(21)15-17-4-1-3-16(13-17)14-24-23(30)26-20-8-6-18(7-9-20)22(29)25-19-10-11-19/h1,3-4,6-9,13,19H,2,5,10-12,14-15H2,(H,25,29)(H2,24,26,30)
InChIKeyQBVJXHKCNSZVPW-UHFFFAOYSA-N
MW406.49 g/mol
LogP3.02
Rot. Bonds7

About N-cyclopropyl-4-[[3-[(2-oxopyrrolidin-1-yl)methyl]phenyl]methylcarbamoylamino]benzamide

N-cyclopropyl-4-[[3-[(2-oxopyrrolidin-1-yl)methyl]phenyl]methylcarbamoylamino]benzamide (PubChem CID 112825341) has the molecular formula C23H26N4O3 and a molecular weight of 406.49 g/mol. Its IUPAC name is N-cyclopropyl-4-[[3-[(2-oxopyrrolidin-1-yl)methyl]phenyl]methylcarbamoylamino]benzamide.

Molecular Properties

Compound NameN-cyclopropyl-4-[[3-[(2-oxopyrrolidin-1-yl)methyl]phenyl]methylcarbamoylamino]benzamide
PubChem CID112825341
Molecular FormulaC23H26N4O3
Molecular Weight406.49 g/mol
Exact Mass406.20
IUPAC NameN-cyclopropyl-4-[[3-[(2-oxopyrrolidin-1-yl)methyl]phenyl]methylcarbamoylamino]benzamide
SMILESO=C(NCc1cccc(CN2CCCC2=O)c1)Nc1ccc(C(=O)NC2CC2)cc1
InChIInChI=1S/C23H26N4O3/c28-21-5-2-12-27(21)15-17-4-1-3-16(13-17)14-24-23(30)26-20-8-6-18(7-9-20)22(29)25-19-10-11-19/h1,3-4,6-9,13,19H,2,5,10-12,14-15H2,(H,25,29)(H2,24,26,30)
InChIKeyQBVJXHKCNSZVPW-UHFFFAOYSA-N
XLogP3.02
TPSA90.54 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500406.49
LogP ≤ 53.02
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

N-cyclopentyl-3-[(2-oxopyrrolidin-1-yl)methyl]benzamide
CID 9209303
1-[[3-[(2-methylimidazol-1-yl)methyl]phenyl]methyl]-3-[4-[(2-oxopyrrolidin-1-yl)methyl]phenyl]urea
CID 78890661
5-bromo-N-[4-[[3-[(2-oxopyrrolidin-1-yl)methyl]phenyl]methylcarbamoyl]phenyl]furan-2-carboxamide
CID 112841647
1-[(3-methylphenyl)methyl]-3-[[3-[(2-oxopyrrolidin-1-yl)methyl]phenyl]methyl]urea
CID 38387385
1-[[3-[(2-oxopyrrolidin-1-yl)methyl]phenyl]methyl]-3-[3-(2-phenylethynyl)phenyl]urea
CID 112825436
1-cyclopentyl-2-methyl-3-[[3-[(2-oxopyrrolidin-1-yl)methyl]phenyl]methyl]guanidine;hydroiodide
CID 110989900
1-[4-(4-methylpiperidin-1-yl)butyl]-3-[[3-[(2-oxopyrrolidin-1-yl)methyl]phenyl]methyl]urea
CID 78890485
1-(3-cyclopropyl-1-phenylpyrazol-5-yl)-3-[[3-[(2-oxopyrrolidin-1-yl)methyl]phenyl]methyl]urea
CID 146122528
1-[3-chloro-4-(difluoromethoxy)phenyl]-3-[[3-[(2-oxopyrrolidin-1-yl)methyl]phenyl]methyl]urea
CID 112824547
1-(4-bromo-2-methylphenyl)-3-[[3-[(2-oxopyrrolidin-1-yl)methyl]phenyl]methyl]urea
CID 112824889
N-(2-benzamidoethyl)-3-[(2-oxopyrrolidin-1-yl)methyl]benzamide
CID 38231106
3-amino-N-[[3-[(2-oxopyrrolidin-1-yl)methyl]phenyl]methyl]bicyclo[2.2.1]heptane-2-carboxamide
CID 119717021

Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-4-[[3-[(2-oxopyrrolidin-1-yl)methyl]phenyl]methylcarbamoylamino]benzamide?
The IUPAC name of N-cyclopropyl-4-[[3-[(2-oxopyrrolidin-1-yl)methyl]phenyl]methylcarbamoylamino]benzamide (CID 112825341) is N-cyclopropyl-4-[[3-[(2-oxopyrrolidin-1-yl)methyl]phenyl]methylcarbamoylamino]benzamide.
What is the SMILES notation for N-cyclopropyl-4-[[3-[(2-oxopyrrolidin-1-yl)methyl]phenyl]methylcarbamoylamino]benzamide?
The canonical SMILES for N-cyclopropyl-4-[[3-[(2-oxopyrrolidin-1-yl)methyl]phenyl]methylcarbamoylamino]benzamide is O=C(NCc1cccc(CN2CCCC2=O)c1)Nc1ccc(C(=O)NC2CC2)cc1.
What is the InChIKey of N-cyclopropyl-4-[[3-[(2-oxopyrrolidin-1-yl)methyl]phenyl]methylcarbamoylamino]benzamide?
The InChIKey is QBVJXHKCNSZVPW-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H26N4O3/c28-21-5-2-12-27(21)15-17-4-1-3-16(13-17)14-24-23(30)26-20-8-6-18(7-9-20)22(29)25-19-10-11-19/h1,3-4,6-9,13,19H,2,5,10-12,14-15H2,(H,25,29)(H2,24,26,30).
What are the key properties of N-cyclopropyl-4-[[3-[(2-oxopyrrolidin-1-yl)methyl]phenyl]methylcarbamoylamino]benzamide?
N-cyclopropyl-4-[[3-[(2-oxopyrrolidin-1-yl)methyl]phenyl]methylcarbamoylamino]benzamide has a molecular weight of 406.49 g/mol, XLogP of 3.02, 7 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-4-[[3-[(2-oxopyrrolidin-1-yl)methyl]phenyl]methylcarbamoylamino]benzamide is sourced from PubChem (CID 112825341), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).