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

C13H18N4O3 — CID 64892532

IUPAC3-amino-N-[4-(methylcarbamoylamino)phenyl]oxolane-3-carboxamide
SMILESCNC(=O)Nc1ccc(NC(=O)C2(N)CCOC2)cc1
InChIInChI=1S/C13H18N4O3/c1-15-12(19)17-10-4-2-9(3-5-10)16-11(18)13(14)6-7-20-8-13/h2-5H,6-8,14H2,1H3,(H,16,18)(H2,15,17,19)
InChIKeyNDWPVURSGWEQFS-UHFFFAOYSA-N
MW278.31 g/mol
LogP0.49
Rot. Bonds3

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

3-amino-N-[4-(methylcarbamoylamino)phenyl]oxolane-3-carboxamide (PubChem CID 64892532) has the molecular formula C13H18N4O3 and a molecular weight of 278.31 g/mol. Its IUPAC name is 3-amino-N-[4-(methylcarbamoylamino)phenyl]oxolane-3-carboxamide.

Molecular Properties

Compound Name3-amino-N-[4-(methylcarbamoylamino)phenyl]oxolane-3-carboxamide
PubChem CID64892532
Molecular FormulaC13H18N4O3
Molecular Weight278.31 g/mol
Exact Mass278.14
IUPAC Name3-amino-N-[4-(methylcarbamoylamino)phenyl]oxolane-3-carboxamide
SMILESCNC(=O)Nc1ccc(NC(=O)C2(N)CCOC2)cc1
InChIInChI=1S/C13H18N4O3/c1-15-12(19)17-10-4-2-9(3-5-10)16-11(18)13(14)6-7-20-8-13/h2-5H,6-8,14H2,1H3,(H,16,18)(H2,15,17,19)
InChIKeyNDWPVURSGWEQFS-UHFFFAOYSA-N
XLogP0.49
TPSA105.48 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.31
LogP ≤ 50.49
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

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Related Compounds

3-amino-N-[4-(methylcarbamoyl)phenyl]oxolane-3-carboxamide
CID 64893330
3-amino-N-(4-carbamoylphenyl)oxolane-3-carboxamide
CID 64891880
4-amino-N-(4-methylphenyl)oxane-4-carboxamide
CID 113280557
3-amino-N-(3,4-dimethylphenyl)oxolane-3-carboxamide
CID 64891886
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
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
3-amino-N-[4-(1H-imidazol-5-yl)phenyl]oxolane-3-carboxamide
CID 64892323
3-amino-N-(3,4-diethoxyphenyl)oxolane-3-carboxamide
CID 64892076
4-[(3-aminooxolane-3-carbonyl)amino]-2-fluorobenzoic acid
CID 103869180

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-[4-(methylcarbamoylamino)phenyl]oxolane-3-carboxamide?
The IUPAC name of 3-amino-N-[4-(methylcarbamoylamino)phenyl]oxolane-3-carboxamide (CID 64892532) is 3-amino-N-[4-(methylcarbamoylamino)phenyl]oxolane-3-carboxamide.
What is the SMILES notation for 3-amino-N-[4-(methylcarbamoylamino)phenyl]oxolane-3-carboxamide?
The canonical SMILES for 3-amino-N-[4-(methylcarbamoylamino)phenyl]oxolane-3-carboxamide is CNC(=O)Nc1ccc(NC(=O)C2(N)CCOC2)cc1.
What is the InChIKey of 3-amino-N-[4-(methylcarbamoylamino)phenyl]oxolane-3-carboxamide?
The InChIKey is NDWPVURSGWEQFS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N4O3/c1-15-12(19)17-10-4-2-9(3-5-10)16-11(18)13(14)6-7-20-8-13/h2-5H,6-8,14H2,1H3,(H,16,18)(H2,15,17,19).
What are the key properties of 3-amino-N-[4-(methylcarbamoylamino)phenyl]oxolane-3-carboxamide?
3-amino-N-[4-(methylcarbamoylamino)phenyl]oxolane-3-carboxamide has a molecular weight of 278.31 g/mol, XLogP of 0.49, 3 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-[4-(methylcarbamoylamino)phenyl]oxolane-3-carboxamide is sourced from PubChem (CID 64892532), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).