2-methyl-N-[2-[[3-(2-oxoimidazolidin-1-yl)phenyl]carbamoylamino]ethyl]propanamide

C16H23N5O3 — CID 47039442

IUPAC2-methyl-N-[2-[[3-(2-oxoimidazolidin-1-yl)phenyl]carbamoylamino]ethyl]propanamide
SMILESCC(C)C(=O)NCCNC(=O)Nc1cccc(N2CCNC2=O)c1
InChIInChI=1S/C16H23N5O3/c1-11(2)14(22)17-6-7-18-15(23)20-12-4-3-5-13(10-12)21-9-8-19-16(21)24/h3-5,10-11H,6-9H2,1-2H3,(H,17,22)(H,19,24)(H2,18,20,23)
InChIKeyIKJFAWKTPVGVLS-UHFFFAOYSA-N
MW333.39 g/mol
LogP1.11
Rot. Bonds6

About 2-methyl-N-[2-[[3-(2-oxoimidazolidin-1-yl)phenyl]carbamoylamino]ethyl]propanamide

2-methyl-N-[2-[[3-(2-oxoimidazolidin-1-yl)phenyl]carbamoylamino]ethyl]propanamide (PubChem CID 47039442) has the molecular formula C16H23N5O3 and a molecular weight of 333.39 g/mol. Its IUPAC name is 2-methyl-N-[2-[[3-(2-oxoimidazolidin-1-yl)phenyl]carbamoylamino]ethyl]propanamide.

Molecular Properties

Compound Name2-methyl-N-[2-[[3-(2-oxoimidazolidin-1-yl)phenyl]carbamoylamino]ethyl]propanamide
PubChem CID47039442
Molecular FormulaC16H23N5O3
Molecular Weight333.39 g/mol
Exact Mass333.18
IUPAC Name2-methyl-N-[2-[[3-(2-oxoimidazolidin-1-yl)phenyl]carbamoylamino]ethyl]propanamide
SMILESCC(C)C(=O)NCCNC(=O)Nc1cccc(N2CCNC2=O)c1
InChIInChI=1S/C16H23N5O3/c1-11(2)14(22)17-6-7-18-15(23)20-12-4-3-5-13(10-12)21-9-8-19-16(21)24/h3-5,10-11H,6-9H2,1-2H3,(H,17,22)(H,19,24)(H2,18,20,23)
InChIKeyIKJFAWKTPVGVLS-UHFFFAOYSA-N
XLogP1.11
TPSA102.57 Ų
H-Bond Donors4
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.39
LogP ≤ 51.11
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

1-(2-methylprop-2-enyl)-3-[3-(2-oxoimidazolidin-1-yl)phenyl]urea
CID 100624959
2-bromo-N-[3-(2-oxoimidazolidin-1-yl)phenyl]propanamide
CID 107903731
N-[3-(2-oxoimidazolidin-1-yl)phenyl]acetamide
CID 47210940
1-[[2-[(4-ethylpiperazin-1-yl)methyl]phenyl]methyl]-3-[3-(2-oxoimidazolidin-1-yl)phenyl]urea
CID 55738123
1-[3-(2-oxoimidazolidin-1-yl)phenyl]-3-[(2R)-2-thiophen-3-ylpropyl]urea
CID 95904318
1-[2-(4-fluorophenyl)-2-hydroxyethyl]-3-[3-(2-oxoimidazolidin-1-yl)phenyl]urea
CID 55738407
1-[2-(2-methylcyclohexyl)oxyethyl]-3-[3-(2-oxoimidazolidin-1-yl)phenyl]urea
CID 51116378
(2S)-2-(2-methylpropoxy)-N-[3-(2-oxoimidazolidin-1-yl)phenyl]propanamide
CID 94123689
1-[[4-[(dimethylamino)methyl]phenyl]methyl]-3-[3-(2-oxoimidazolidin-1-yl)phenyl]urea
CID 55738130
1-[2-(4-fluorophenyl)-2-hydroxypropyl]-3-[3-(2-oxoimidazolidin-1-yl)phenyl]urea
CID 154834572
1-(furan-3-ylmethyl)-3-[3-(2-oxoimidazolidin-1-yl)phenyl]urea
CID 47039430
1-[2-(dimethylamino)-2-(4-ethylphenyl)ethyl]-3-[3-(2-oxoimidazolidin-1-yl)phenyl]urea
CID 55738090

Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-[2-[[3-(2-oxoimidazolidin-1-yl)phenyl]carbamoylamino]ethyl]propanamide?
The IUPAC name of 2-methyl-N-[2-[[3-(2-oxoimidazolidin-1-yl)phenyl]carbamoylamino]ethyl]propanamide (CID 47039442) is 2-methyl-N-[2-[[3-(2-oxoimidazolidin-1-yl)phenyl]carbamoylamino]ethyl]propanamide.
What is the SMILES notation for 2-methyl-N-[2-[[3-(2-oxoimidazolidin-1-yl)phenyl]carbamoylamino]ethyl]propanamide?
The canonical SMILES for 2-methyl-N-[2-[[3-(2-oxoimidazolidin-1-yl)phenyl]carbamoylamino]ethyl]propanamide is CC(C)C(=O)NCCNC(=O)Nc1cccc(N2CCNC2=O)c1.
What is the InChIKey of 2-methyl-N-[2-[[3-(2-oxoimidazolidin-1-yl)phenyl]carbamoylamino]ethyl]propanamide?
The InChIKey is IKJFAWKTPVGVLS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23N5O3/c1-11(2)14(22)17-6-7-18-15(23)20-12-4-3-5-13(10-12)21-9-8-19-16(21)24/h3-5,10-11H,6-9H2,1-2H3,(H,17,22)(H,19,24)(H2,18,20,23).
What are the key properties of 2-methyl-N-[2-[[3-(2-oxoimidazolidin-1-yl)phenyl]carbamoylamino]ethyl]propanamide?
2-methyl-N-[2-[[3-(2-oxoimidazolidin-1-yl)phenyl]carbamoylamino]ethyl]propanamide has a molecular weight of 333.39 g/mol, XLogP of 1.11, 6 rotatable bonds, 4 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-[2-[[3-(2-oxoimidazolidin-1-yl)phenyl]carbamoylamino]ethyl]propanamide is sourced from PubChem (CID 47039442), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).