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

C12H16N4O3 — CID 66238841

IUPAC4-amino-N-[4-(carbamoylamino)phenyl]oxolane-3-carboxamide
SMILESNC(=O)Nc1ccc(NC(=O)C2COCC2N)cc1
InChIInChI=1S/C12H16N4O3/c13-10-6-19-5-9(10)11(17)15-7-1-3-8(4-2-7)16-12(14)18/h1-4,9-10H,5-6,13H2,(H,15,17)(H3,14,16,18)
InChIKeyOYCPJUSVYMJGRL-UHFFFAOYSA-N
MW264.29 g/mol
LogP0.09
Rot. Bonds3

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

4-amino-N-[4-(carbamoylamino)phenyl]oxolane-3-carboxamide (PubChem CID 66238841) has the molecular formula C12H16N4O3 and a molecular weight of 264.29 g/mol. Its IUPAC name is 4-amino-N-[4-(carbamoylamino)phenyl]oxolane-3-carboxamide.

Molecular Properties

Compound Name4-amino-N-[4-(carbamoylamino)phenyl]oxolane-3-carboxamide
PubChem CID66238841
Molecular FormulaC12H16N4O3
Molecular Weight264.29 g/mol
Exact Mass264.12
IUPAC Name4-amino-N-[4-(carbamoylamino)phenyl]oxolane-3-carboxamide
SMILESNC(=O)Nc1ccc(NC(=O)C2COCC2N)cc1
InChIInChI=1S/C12H16N4O3/c13-10-6-19-5-9(10)11(17)15-7-1-3-8(4-2-7)16-12(14)18/h1-4,9-10H,5-6,13H2,(H,15,17)(H3,14,16,18)
InChIKeyOYCPJUSVYMJGRL-UHFFFAOYSA-N
XLogP0.09
TPSA119.47 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.29
LogP ≤ 50.09
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

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Related Compounds

4-[(4-aminooxolane-3-carbonyl)amino]benzoic acid
CID 66238273
4-amino-N-(4-ethoxyphenyl)oxolane-3-carboxamide
CID 66241179
4-amino-N-(3-carbamoyl-4-chlorophenyl)oxolane-3-carboxamide
CID 66241024
4-amino-N-(4-piperidin-1-ylphenyl)oxolane-3-carboxamide
CID 66238833
4-amino-N-(4-propan-2-yloxyphenyl)oxolane-3-carboxamide
CID 66239409
2-[4-[(4-aminooxolane-3-carbonyl)amino]phenoxy]acetic acid
CID 66237709
4-amino-N-(1-methyl-6-oxo-3-pyridinyl)oxolane-3-carboxamide
CID 66239661
4-amino-N-(4-bromo-3-chlorophenyl)oxolane-3-carboxamide
CID 107620314
4-amino-N-(3-iodo-4-methylphenyl)oxolane-3-carboxamide
CID 66239031
4-amino-N-[4-(2-oxo-1-pyridinyl)phenyl]oxolane-3-carboxamide
CID 69439141
4-amino-N-[4-fluoro-3-(trifluoromethyl)phenyl]oxolane-3-carboxamide
CID 66235449
4-amino-N-(4-bromo-3,5-dimethylphenyl)oxolane-3-carboxamide
CID 107574306

Frequently Asked Questions

What is the IUPAC name of 4-amino-N-[4-(carbamoylamino)phenyl]oxolane-3-carboxamide?
The IUPAC name of 4-amino-N-[4-(carbamoylamino)phenyl]oxolane-3-carboxamide (CID 66238841) is 4-amino-N-[4-(carbamoylamino)phenyl]oxolane-3-carboxamide.
What is the SMILES notation for 4-amino-N-[4-(carbamoylamino)phenyl]oxolane-3-carboxamide?
The canonical SMILES for 4-amino-N-[4-(carbamoylamino)phenyl]oxolane-3-carboxamide is NC(=O)Nc1ccc(NC(=O)C2COCC2N)cc1.
What is the InChIKey of 4-amino-N-[4-(carbamoylamino)phenyl]oxolane-3-carboxamide?
The InChIKey is OYCPJUSVYMJGRL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N4O3/c13-10-6-19-5-9(10)11(17)15-7-1-3-8(4-2-7)16-12(14)18/h1-4,9-10H,5-6,13H2,(H,15,17)(H3,14,16,18).
What are the key properties of 4-amino-N-[4-(carbamoylamino)phenyl]oxolane-3-carboxamide?
4-amino-N-[4-(carbamoylamino)phenyl]oxolane-3-carboxamide has a molecular weight of 264.29 g/mol, XLogP of 0.09, 3 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-N-[4-(carbamoylamino)phenyl]oxolane-3-carboxamide is sourced from PubChem (CID 66238841), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).