N-[4-[(1-benzyl-5-oxopyrrolidin-3-yl)carbamoylamino]phenyl]acetamide

C20H22N4O3 — CID 108876378

IUPACN-[4-[(1-benzyl-5-oxopyrrolidin-3-yl)carbamoylamino]phenyl]acetamide
SMILESCC(=O)Nc1ccc(NC(=O)NC2CC(=O)N(Cc3ccccc3)C2)cc1
InChIInChI=1S/C20H22N4O3/c1-14(25)21-16-7-9-17(10-8-16)22-20(27)23-18-11-19(26)24(13-18)12-15-5-3-2-4-6-15/h2-10,18H,11-13H2,1H3,(H,21,25)(H2,22,23,27)
InChIKeyKTYROEUJDHRSRD-UHFFFAOYSA-N
MW366.42 g/mol
LogP2.57
Rot. Bonds5

About N-[4-[(1-benzyl-5-oxopyrrolidin-3-yl)carbamoylamino]phenyl]acetamide

N-[4-[(1-benzyl-5-oxopyrrolidin-3-yl)carbamoylamino]phenyl]acetamide (PubChem CID 108876378) has the molecular formula C20H22N4O3 and a molecular weight of 366.42 g/mol. Its IUPAC name is N-[4-[(1-benzyl-5-oxopyrrolidin-3-yl)carbamoylamino]phenyl]acetamide.

Molecular Properties

Compound NameN-[4-[(1-benzyl-5-oxopyrrolidin-3-yl)carbamoylamino]phenyl]acetamide
PubChem CID108876378
Molecular FormulaC20H22N4O3
Molecular Weight366.42 g/mol
Exact Mass366.17
IUPAC NameN-[4-[(1-benzyl-5-oxopyrrolidin-3-yl)carbamoylamino]phenyl]acetamide
SMILESCC(=O)Nc1ccc(NC(=O)NC2CC(=O)N(Cc3ccccc3)C2)cc1
InChIInChI=1S/C20H22N4O3/c1-14(25)21-16-7-9-17(10-8-16)22-20(27)23-18-11-19(26)24(13-18)12-15-5-3-2-4-6-15/h2-10,18H,11-13H2,1H3,(H,21,25)(H2,22,23,27)
InChIKeyKTYROEUJDHRSRD-UHFFFAOYSA-N
XLogP2.57
TPSA90.54 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.42
LogP ≤ 52.57
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

1-(4-acetylphenyl)-3-(1-benzyl-5-oxopyrrolidin-3-yl)urea
CID 108876474
2-[4-[(1-benzyl-5-oxopyrrolidin-3-yl)carbamoylamino]phenyl]acetic acid
CID 108876522
1-(1-benzyl-5-oxopyrrolidin-3-yl)-3-tert-butylurea
CID 108876426
1-(1-benzyl-5-oxopyrrolidin-3-yl)-3-(2-bromophenyl)urea
CID 108876636
1-(1-benzyl-5-oxopyrrolidin-3-yl)-3-(2,6-difluorophenyl)urea
CID 108876524
1-[(3S)-1-benzyl-5-oxopyrrolidin-3-yl]-3-(1-methylpiperidin-4-yl)urea
CID 95598501
methyl 2-[(1-benzyl-5-oxopyrrolidin-3-yl)carbamoylamino]benzoate
CID 108876461
1-(1-benzyl-5-oxopyrrolidin-3-yl)-3-(3-methyl-2-pyridinyl)urea
CID 108876657
1-[(3S)-1-benzyl-5-oxopyrrolidin-3-yl]-3-(2,4,6-trimethyl-3-pyridinyl)urea
CID 97275872
1-(1-benzyl-5-oxopyrrolidin-3-yl)-3-(4-phenylbutyl)urea
CID 108876718
1-(1-benzyl-5-oxopyrrolidin-3-yl)-3-(4-chloro-2-methoxy-5-methylphenyl)urea
CID 108876656
1-(1-benzyl-5-oxopyrrolidin-3-yl)-3-[1-(4-ethylphenyl)ethyl]urea
CID 108876454

Frequently Asked Questions

What is the IUPAC name of N-[4-[(1-benzyl-5-oxopyrrolidin-3-yl)carbamoylamino]phenyl]acetamide?
The IUPAC name of N-[4-[(1-benzyl-5-oxopyrrolidin-3-yl)carbamoylamino]phenyl]acetamide (CID 108876378) is N-[4-[(1-benzyl-5-oxopyrrolidin-3-yl)carbamoylamino]phenyl]acetamide.
What is the SMILES notation for N-[4-[(1-benzyl-5-oxopyrrolidin-3-yl)carbamoylamino]phenyl]acetamide?
The canonical SMILES for N-[4-[(1-benzyl-5-oxopyrrolidin-3-yl)carbamoylamino]phenyl]acetamide is CC(=O)Nc1ccc(NC(=O)NC2CC(=O)N(Cc3ccccc3)C2)cc1.
What is the InChIKey of N-[4-[(1-benzyl-5-oxopyrrolidin-3-yl)carbamoylamino]phenyl]acetamide?
The InChIKey is KTYROEUJDHRSRD-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22N4O3/c1-14(25)21-16-7-9-17(10-8-16)22-20(27)23-18-11-19(26)24(13-18)12-15-5-3-2-4-6-15/h2-10,18H,11-13H2,1H3,(H,21,25)(H2,22,23,27).
What are the key properties of N-[4-[(1-benzyl-5-oxopyrrolidin-3-yl)carbamoylamino]phenyl]acetamide?
N-[4-[(1-benzyl-5-oxopyrrolidin-3-yl)carbamoylamino]phenyl]acetamide has a molecular weight of 366.42 g/mol, XLogP of 2.57, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[(1-benzyl-5-oxopyrrolidin-3-yl)carbamoylamino]phenyl]acetamide is sourced from PubChem (CID 108876378), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).