3-amino-N-[4-(methylcarbamoyl)phenyl]oxolane-3-carboxamide

C13H17N3O3 — CID 64893330

IUPAC3-amino-N-[4-(methylcarbamoyl)phenyl]oxolane-3-carboxamide
SMILESCNC(=O)c1ccc(NC(=O)C2(N)CCOC2)cc1
InChIInChI=1S/C13H17N3O3/c1-15-11(17)9-2-4-10(5-3-9)16-12(18)13(14)6-7-19-8-13/h2-5H,6-8,14H2,1H3,(H,15,17)(H,16,18)
InChIKeyCTOQSJLMUVZMOF-UHFFFAOYSA-N
MW263.30 g/mol
LogP0.10
Rot. Bonds3

About 3-amino-N-[4-(methylcarbamoyl)phenyl]oxolane-3-carboxamide

3-amino-N-[4-(methylcarbamoyl)phenyl]oxolane-3-carboxamide (PubChem CID 64893330) has the molecular formula C13H17N3O3 and a molecular weight of 263.30 g/mol. Its IUPAC name is 3-amino-N-[4-(methylcarbamoyl)phenyl]oxolane-3-carboxamide.

Molecular Properties

Compound Name3-amino-N-[4-(methylcarbamoyl)phenyl]oxolane-3-carboxamide
PubChem CID64893330
Molecular FormulaC13H17N3O3
Molecular Weight263.30 g/mol
Exact Mass263.13
IUPAC Name3-amino-N-[4-(methylcarbamoyl)phenyl]oxolane-3-carboxamide
SMILESCNC(=O)c1ccc(NC(=O)C2(N)CCOC2)cc1
InChIInChI=1S/C13H17N3O3/c1-15-11(17)9-2-4-10(5-3-9)16-12(18)13(14)6-7-19-8-13/h2-5H,6-8,14H2,1H3,(H,15,17)(H,16,18)
InChIKeyCTOQSJLMUVZMOF-UHFFFAOYSA-N
XLogP0.10
TPSA93.45 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.30
LogP ≤ 50.10
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

3-amino-N-[4-(methylcarbamoylamino)phenyl]oxolane-3-carboxamide
CID 64892532
3-amino-N-(4-carbamoylphenyl)oxolane-3-carboxamide
CID 64891880
4-[(1-aminocyclopropanecarbonyl)amino]-N-methylbenzamide
CID 65466580
3-amino-N-(3,4-dimethylphenyl)oxolane-3-carboxamide
CID 64891886
4-amino-N-(4-methylphenyl)oxane-4-carboxamide
CID 113280557
3-amino-N-[4-(pyrrolidin-1-ylmethyl)phenyl]oxolane-3-carboxamide
CID 64894153
3-amino-N-[4-(2-amino-2-oxoethoxy)phenyl]oxolane-3-carboxamide
CID 64891525
3-amino-N-[4-(tetrazol-1-yl)phenyl]oxolane-3-carboxamide
CID 64892992
4-[(3-aminooxolane-3-carbonyl)amino]-2-hydroxybenzoic acid
CID 64892164
N-(5-acetamido-2-methylphenyl)-3-aminooxolane-3-carboxamide
CID 64893119
3-amino-N-(6-bromonaphthalen-2-yl)oxolane-3-carboxamide
CID 81259878
4-amino-3-methyl-N-[4-(methylcarbamoyl)phenyl]oxolane-3-carboxamide
CID 66250609

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-[4-(methylcarbamoyl)phenyl]oxolane-3-carboxamide?
The IUPAC name of 3-amino-N-[4-(methylcarbamoyl)phenyl]oxolane-3-carboxamide (CID 64893330) is 3-amino-N-[4-(methylcarbamoyl)phenyl]oxolane-3-carboxamide.
What is the SMILES notation for 3-amino-N-[4-(methylcarbamoyl)phenyl]oxolane-3-carboxamide?
The canonical SMILES for 3-amino-N-[4-(methylcarbamoyl)phenyl]oxolane-3-carboxamide is CNC(=O)c1ccc(NC(=O)C2(N)CCOC2)cc1.
What is the InChIKey of 3-amino-N-[4-(methylcarbamoyl)phenyl]oxolane-3-carboxamide?
The InChIKey is CTOQSJLMUVZMOF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N3O3/c1-15-11(17)9-2-4-10(5-3-9)16-12(18)13(14)6-7-19-8-13/h2-5H,6-8,14H2,1H3,(H,15,17)(H,16,18).
What are the key properties of 3-amino-N-[4-(methylcarbamoyl)phenyl]oxolane-3-carboxamide?
3-amino-N-[4-(methylcarbamoyl)phenyl]oxolane-3-carboxamide has a molecular weight of 263.30 g/mol, XLogP of 0.10, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-[4-(methylcarbamoyl)phenyl]oxolane-3-carboxamide is sourced from PubChem (CID 64893330), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).