N-(5-acetamido-2-methylphenyl)-3-aminooxolane-3-carboxamide

C14H19N3O3 — CID 64893119

IUPACN-(5-acetamido-2-methylphenyl)-3-aminooxolane-3-carboxamide
SMILESCC(=O)Nc1ccc(C)c(NC(=O)C2(N)CCOC2)c1
InChIInChI=1S/C14H19N3O3/c1-9-3-4-11(16-10(2)18)7-12(9)17-13(19)14(15)5-6-20-8-14/h3-4,7H,5-6,8,15H2,1-2H3,(H,16,18)(H,17,19)
InChIKeyUJMCROSPALSFIO-UHFFFAOYSA-N
MW277.32 g/mol
LogP1.01
Rot. Bonds3

About N-(5-acetamido-2-methylphenyl)-3-aminooxolane-3-carboxamide

N-(5-acetamido-2-methylphenyl)-3-aminooxolane-3-carboxamide (PubChem CID 64893119) has the molecular formula C14H19N3O3 and a molecular weight of 277.32 g/mol. Its IUPAC name is N-(5-acetamido-2-methylphenyl)-3-aminooxolane-3-carboxamide.

Molecular Properties

Compound NameN-(5-acetamido-2-methylphenyl)-3-aminooxolane-3-carboxamide
PubChem CID64893119
Molecular FormulaC14H19N3O3
Molecular Weight277.32 g/mol
Exact Mass277.14
IUPAC NameN-(5-acetamido-2-methylphenyl)-3-aminooxolane-3-carboxamide
SMILESCC(=O)Nc1ccc(C)c(NC(=O)C2(N)CCOC2)c1
InChIInChI=1S/C14H19N3O3/c1-9-3-4-11(16-10(2)18)7-12(9)17-13(19)14(15)5-6-20-8-14/h3-4,7H,5-6,8,15H2,1-2H3,(H,16,18)(H,17,19)
InChIKeyUJMCROSPALSFIO-UHFFFAOYSA-N
XLogP1.01
TPSA93.45 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.32
LogP ≤ 51.01
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

3-amino-N-(3,4-dimethylphenyl)oxolane-3-carboxamide
CID 64891886
3-amino-N-[4-(methanesulfonamido)-3-methylphenyl]oxolane-3-carboxamide
CID 64891328
3-amino-N-[5-(ethylcarbamoyl)-2-methylphenyl]oxolane-3-carboxamide
CID 64891539
N-(3-acetamido-4-methylphenyl)-4-(aminomethyl)oxane-4-carboxamide
CID 120922553
3-amino-N-[2-methyl-5-(tetrazol-1-yl)phenyl]oxolane-3-carboxamide
CID 64893334
3-amino-N-[4-(methylcarbamoylamino)phenyl]oxolane-3-carboxamide
CID 64892532
4-[(3-aminooxolane-3-carbonyl)amino]-2-hydroxybenzoic acid
CID 64892164
5-[(4-aminooxane-4-carbonyl)amino]-2-methylbenzoic acid
CID 115294923
3-amino-N-(2,4-dimethyl-5-nitrophenyl)oxolane-3-carboxamide
CID 104757785
3-amino-N-(6-bromonaphthalen-2-yl)oxolane-3-carboxamide
CID 81259878
N-(4-acetamido-3-chlorophenyl)-4-aminooxane-4-carboxamide
CID 115293893
3-amino-N-(3,4-diethoxyphenyl)oxolane-3-carboxamide
CID 64892076

Frequently Asked Questions

What is the IUPAC name of N-(5-acetamido-2-methylphenyl)-3-aminooxolane-3-carboxamide?
The IUPAC name of N-(5-acetamido-2-methylphenyl)-3-aminooxolane-3-carboxamide (CID 64893119) is N-(5-acetamido-2-methylphenyl)-3-aminooxolane-3-carboxamide.
What is the SMILES notation for N-(5-acetamido-2-methylphenyl)-3-aminooxolane-3-carboxamide?
The canonical SMILES for N-(5-acetamido-2-methylphenyl)-3-aminooxolane-3-carboxamide is CC(=O)Nc1ccc(C)c(NC(=O)C2(N)CCOC2)c1.
What is the InChIKey of N-(5-acetamido-2-methylphenyl)-3-aminooxolane-3-carboxamide?
The InChIKey is UJMCROSPALSFIO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N3O3/c1-9-3-4-11(16-10(2)18)7-12(9)17-13(19)14(15)5-6-20-8-14/h3-4,7H,5-6,8,15H2,1-2H3,(H,16,18)(H,17,19).
What are the key properties of N-(5-acetamido-2-methylphenyl)-3-aminooxolane-3-carboxamide?
N-(5-acetamido-2-methylphenyl)-3-aminooxolane-3-carboxamide has a molecular weight of 277.32 g/mol, XLogP of 1.01, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-acetamido-2-methylphenyl)-3-aminooxolane-3-carboxamide is sourced from PubChem (CID 64893119), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).