5-[[(4-acetylphenyl)carbamoylamino]methyl]oxolane-2-carboxamide

C15H19N3O4 — CID 75380134

IUPAC5-[[(4-acetylphenyl)carbamoylamino]methyl]oxolane-2-carboxamide
SMILESCC(=O)c1ccc(NC(=O)NCC2CCC(C(N)=O)O2)cc1
InChIInChI=1S/C15H19N3O4/c1-9(19)10-2-4-11(5-3-10)18-15(21)17-8-12-6-7-13(22-12)14(16)20/h2-5,12-13H,6-8H2,1H3,(H2,16,20)(H2,17,18,21)
InChIKeyVZNLTSUEMHUGBK-UHFFFAOYSA-N
MW305.33 g/mol
LogP1.04
Rot. Bonds5

About 5-[[(4-acetylphenyl)carbamoylamino]methyl]oxolane-2-carboxamide

5-[[(4-acetylphenyl)carbamoylamino]methyl]oxolane-2-carboxamide (PubChem CID 75380134) has the molecular formula C15H19N3O4 and a molecular weight of 305.33 g/mol. Its IUPAC name is 5-[[(4-acetylphenyl)carbamoylamino]methyl]oxolane-2-carboxamide.

Molecular Properties

Compound Name5-[[(4-acetylphenyl)carbamoylamino]methyl]oxolane-2-carboxamide
PubChem CID75380134
Molecular FormulaC15H19N3O4
Molecular Weight305.33 g/mol
Exact Mass305.14
IUPAC Name5-[[(4-acetylphenyl)carbamoylamino]methyl]oxolane-2-carboxamide
SMILESCC(=O)c1ccc(NC(=O)NCC2CCC(C(N)=O)O2)cc1
InChIInChI=1S/C15H19N3O4/c1-9(19)10-2-4-11(5-3-10)18-15(21)17-8-12-6-7-13(22-12)14(16)20/h2-5,12-13H,6-8H2,1H3,(H2,16,20)(H2,17,18,21)
InChIKeyVZNLTSUEMHUGBK-UHFFFAOYSA-N
XLogP1.04
TPSA110.52 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.33
LogP ≤ 51.04
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

5-[[(2,5-dichlorophenyl)carbamoylamino]methyl]oxolane-2-carboxamide
CID 71919491
(2R,5R)-5-[[(4-methyl-1,3-thiazol-2-yl)carbamoylamino]methyl]oxolane-2-carboxamide
CID 97225540
(2R,5S)-5-[[[4-(2-methylbutan-2-yl)benzoyl]amino]methyl]oxolane-2-carboxamide
CID 97241017
1-(4-acetylphenyl)-3-[[(3R)-1-propan-2-ylpiperidin-3-yl]methyl]urea
CID 95200748
1-(4-acetylphenyl)-3-[(1-ethylpyrrolidin-2-yl)methyl]urea
CID 60724313
5-[[[(2S)-2-amino-3-phenylpropanoyl]amino]methyl]oxolane-2-carboxamide;hydrochloride
CID 119345646
1-(4-acetylphenyl)-3-[(1-hydroxycycloheptyl)methyl]urea
CID 111425519
5-[[(2-aminobenzoyl)amino]methyl]oxolane-2-carboxamide
CID 119946036
5-[[[2-amino-2-(4-methylphenyl)acetyl]amino]methyl]oxolane-2-carboxamide
CID 120669246
1-(4-acetylphenyl)-3-(methoxymethyl)urea
CID 110676030
4-(oxolan-2-ylmethylcarbamoylamino)-N-propan-2-ylbenzamide
CID 17180641
5-[[(4,5-diethoxy-2-nitrophenyl)carbamoylamino]methyl]oxolane-2-carboxamide
CID 167876993

Frequently Asked Questions

What is the IUPAC name of 5-[[(4-acetylphenyl)carbamoylamino]methyl]oxolane-2-carboxamide?
The IUPAC name of 5-[[(4-acetylphenyl)carbamoylamino]methyl]oxolane-2-carboxamide (CID 75380134) is 5-[[(4-acetylphenyl)carbamoylamino]methyl]oxolane-2-carboxamide.
What is the SMILES notation for 5-[[(4-acetylphenyl)carbamoylamino]methyl]oxolane-2-carboxamide?
The canonical SMILES for 5-[[(4-acetylphenyl)carbamoylamino]methyl]oxolane-2-carboxamide is CC(=O)c1ccc(NC(=O)NCC2CCC(C(N)=O)O2)cc1.
What is the InChIKey of 5-[[(4-acetylphenyl)carbamoylamino]methyl]oxolane-2-carboxamide?
The InChIKey is VZNLTSUEMHUGBK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N3O4/c1-9(19)10-2-4-11(5-3-10)18-15(21)17-8-12-6-7-13(22-12)14(16)20/h2-5,12-13H,6-8H2,1H3,(H2,16,20)(H2,17,18,21).
What are the key properties of 5-[[(4-acetylphenyl)carbamoylamino]methyl]oxolane-2-carboxamide?
5-[[(4-acetylphenyl)carbamoylamino]methyl]oxolane-2-carboxamide has a molecular weight of 305.33 g/mol, XLogP of 1.04, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[(4-acetylphenyl)carbamoylamino]methyl]oxolane-2-carboxamide is sourced from PubChem (CID 75380134), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).