3-benzyl-4-oxo-N-(oxolan-2-ylmethyl)imidazolidine-1-carboxamide

C16H21N3O3 — CID 75435937

IUPAC3-benzyl-4-oxo-N-(oxolan-2-ylmethyl)imidazolidine-1-carboxamide
SMILESO=C1CN(C(=O)NCC2CCCO2)CN1Cc1ccccc1
InChIInChI=1S/C16H21N3O3/c20-15-11-19(16(21)17-9-14-7-4-8-22-14)12-18(15)10-13-5-2-1-3-6-13/h1-3,5-6,14H,4,7-12H2,(H,17,21)
InChIKeyNFSSSXFZOJNZOH-UHFFFAOYSA-N
MW303.36 g/mol
LogP1.18
Rot. Bonds4

About 3-benzyl-4-oxo-N-(oxolan-2-ylmethyl)imidazolidine-1-carboxamide

3-benzyl-4-oxo-N-(oxolan-2-ylmethyl)imidazolidine-1-carboxamide (PubChem CID 75435937) has the molecular formula C16H21N3O3 and a molecular weight of 303.36 g/mol. Its IUPAC name is 3-benzyl-4-oxo-N-(oxolan-2-ylmethyl)imidazolidine-1-carboxamide.

Molecular Properties

Compound Name3-benzyl-4-oxo-N-(oxolan-2-ylmethyl)imidazolidine-1-carboxamide
PubChem CID75435937
Molecular FormulaC16H21N3O3
Molecular Weight303.36 g/mol
Exact Mass303.16
IUPAC Name3-benzyl-4-oxo-N-(oxolan-2-ylmethyl)imidazolidine-1-carboxamide
SMILESO=C1CN(C(=O)NCC2CCCO2)CN1Cc1ccccc1
InChIInChI=1S/C16H21N3O3/c20-15-11-19(16(21)17-9-14-7-4-8-22-14)12-18(15)10-13-5-2-1-3-6-13/h1-3,5-6,14H,4,7-12H2,(H,17,21)
InChIKeyNFSSSXFZOJNZOH-UHFFFAOYSA-N
XLogP1.18
TPSA61.88 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.36
LogP ≤ 51.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 3-benzyl-4-oxo-N-(oxolan-2-ylmethyl)imidazolidine-1-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-[(3-methoxyphenyl)methyl]-3-oxo-N-[[(2R)-oxolan-2-yl]methyl]piperazine-1-carboxamide
CID 126423329
(3S)-1-benzyl-5-oxo-N-[[(2R)-oxolan-2-yl]methyl]pyrrolidine-3-carboxamide
CID 34747212
N'-benzyl-N-(oxolan-2-ylmethyl)oxamide
CID 21211581
4-[(2-chlorophenyl)methyl]-N-(oxolan-2-ylmethyl)piperazine-1-carboxamide
CID 113105538
3-(4-benzylpiperazin-1-yl)-N-(oxolan-2-ylmethyl)propanamide
CID 109015843
2-(6-benzyl-1,1-dioxo-1,2,6-thiadiazinan-2-yl)-N-(oxolan-2-ylmethyl)acetamide
CID 20953903
3-(3-benzyl-2-oxo-1,3-diazinan-1-yl)-N-(oxolan-2-ylmethyl)benzamide
CID 50814389
1-benzyl-2-oxo-N-[[(2R)-oxolan-2-yl]methyl]-3H-indole-5-carboxamide
CID 95100034
(3S)-5-oxo-N-[[(2S)-oxolan-2-yl]methyl]-1-(2-phenylethyl)pyrrolidine-3-carboxamide
CID 40515531
4-[(2S)-3-benzyl-4-oxo-1,3-thiazolidin-2-yl]-N-[[(2R)-oxolan-2-yl]methyl]benzamide
CID 1071254
(2S)-2-(2-chlorophenyl)-N-[[(2S)-oxolan-2-yl]methyl]morpholine-4-carboxamide
CID 95326549
2-(4-benzylpiperazine-1-carbonyl)-N-(oxolan-2-ylmethyl)cyclopropane-1-carboxamide
CID 109133486

Frequently Asked Questions

What is the IUPAC name of 3-benzyl-4-oxo-N-(oxolan-2-ylmethyl)imidazolidine-1-carboxamide?
The IUPAC name of 3-benzyl-4-oxo-N-(oxolan-2-ylmethyl)imidazolidine-1-carboxamide (CID 75435937) is 3-benzyl-4-oxo-N-(oxolan-2-ylmethyl)imidazolidine-1-carboxamide.
What is the SMILES notation for 3-benzyl-4-oxo-N-(oxolan-2-ylmethyl)imidazolidine-1-carboxamide?
The canonical SMILES for 3-benzyl-4-oxo-N-(oxolan-2-ylmethyl)imidazolidine-1-carboxamide is O=C1CN(C(=O)NCC2CCCO2)CN1Cc1ccccc1.
What is the InChIKey of 3-benzyl-4-oxo-N-(oxolan-2-ylmethyl)imidazolidine-1-carboxamide?
The InChIKey is NFSSSXFZOJNZOH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N3O3/c20-15-11-19(16(21)17-9-14-7-4-8-22-14)12-18(15)10-13-5-2-1-3-6-13/h1-3,5-6,14H,4,7-12H2,(H,17,21).
What are the key properties of 3-benzyl-4-oxo-N-(oxolan-2-ylmethyl)imidazolidine-1-carboxamide?
3-benzyl-4-oxo-N-(oxolan-2-ylmethyl)imidazolidine-1-carboxamide has a molecular weight of 303.36 g/mol, XLogP of 1.18, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-benzyl-4-oxo-N-(oxolan-2-ylmethyl)imidazolidine-1-carboxamide is sourced from PubChem (CID 75435937), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).