N-[2-(4-methylanilino)-2-oxoethyl]oxolane-2-carboxamide

C14H18N2O3 — CID 112996161

IUPACN-[2-(4-methylanilino)-2-oxoethyl]oxolane-2-carboxamide
SMILESCc1ccc(NC(=O)CNC(=O)C2CCCO2)cc1
InChIInChI=1S/C14H18N2O3/c1-10-4-6-11(7-5-10)16-13(17)9-15-14(18)12-3-2-8-19-12/h4-7,12H,2-3,8-9H2,1H3,(H,15,18)(H,16,17)
InChIKeyVUPAEZIGAVGQNW-UHFFFAOYSA-N
MW262.31 g/mol
LogP1.23
Rot. Bonds4

About N-[2-(4-methylanilino)-2-oxoethyl]oxolane-2-carboxamide

N-[2-(4-methylanilino)-2-oxoethyl]oxolane-2-carboxamide (PubChem CID 112996161) has the molecular formula C14H18N2O3 and a molecular weight of 262.31 g/mol. Its IUPAC name is N-[2-(4-methylanilino)-2-oxoethyl]oxolane-2-carboxamide.

Molecular Properties

Compound NameN-[2-(4-methylanilino)-2-oxoethyl]oxolane-2-carboxamide
PubChem CID112996161
Molecular FormulaC14H18N2O3
Molecular Weight262.31 g/mol
Exact Mass262.13
IUPAC NameN-[2-(4-methylanilino)-2-oxoethyl]oxolane-2-carboxamide
SMILESCc1ccc(NC(=O)CNC(=O)C2CCCO2)cc1
InChIInChI=1S/C14H18N2O3/c1-10-4-6-11(7-5-10)16-13(17)9-15-14(18)12-3-2-8-19-12/h4-7,12H,2-3,8-9H2,1H3,(H,15,18)(H,16,17)
InChIKeyVUPAEZIGAVGQNW-UHFFFAOYSA-N
XLogP1.23
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.31
LogP ≤ 51.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[2-(4-bromoanilino)-2-oxoethyl]oxolane-2-carboxamide
CID 47309395
N-[2-[4-(4-methylpiperidin-1-yl)anilino]-2-oxoethyl]oxolane-2-carboxamide
CID 113000233
N-[4-[[2-(methylamino)acetyl]amino]phenyl]oxolane-2-carboxamide
CID 119711447
N-[2-(3,4-dichloroanilino)-2-oxoethyl]oxolane-2-carboxamide
CID 113001183
N-[2-(3-acetamidoanilino)-2-oxoethyl]oxolane-2-carboxamide
CID 112999667
N-[2-(3-fluoroanilino)-2-oxoethyl]oxolane-2-carboxamide
CID 49336024
N-[2-(4-methylanilino)-2-oxoethyl]cyclopropanecarboxamide
CID 46410880
N-[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl]oxolane-2-carboxamide
CID 110605031
N-[2-(3-cyanoanilino)-2-oxoethyl]oxolane-2-carboxamide
CID 113001915
N-[2-oxo-2-(2-propan-2-ylanilino)ethyl]oxolane-2-carboxamide
CID 112997084
N'-(4-methylphenyl)-N-(oxolan-2-ylmethyl)propanediamide
CID 108943682
N-[4-(3,5-dimethylanilino)phenyl]oxolane-2-carboxamide
CID 112986386

Frequently Asked Questions

What is the IUPAC name of N-[2-(4-methylanilino)-2-oxoethyl]oxolane-2-carboxamide?
The IUPAC name of N-[2-(4-methylanilino)-2-oxoethyl]oxolane-2-carboxamide (CID 112996161) is N-[2-(4-methylanilino)-2-oxoethyl]oxolane-2-carboxamide.
What is the SMILES notation for N-[2-(4-methylanilino)-2-oxoethyl]oxolane-2-carboxamide?
The canonical SMILES for N-[2-(4-methylanilino)-2-oxoethyl]oxolane-2-carboxamide is Cc1ccc(NC(=O)CNC(=O)C2CCCO2)cc1.
What is the InChIKey of N-[2-(4-methylanilino)-2-oxoethyl]oxolane-2-carboxamide?
The InChIKey is VUPAEZIGAVGQNW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N2O3/c1-10-4-6-11(7-5-10)16-13(17)9-15-14(18)12-3-2-8-19-12/h4-7,12H,2-3,8-9H2,1H3,(H,15,18)(H,16,17).
What are the key properties of N-[2-(4-methylanilino)-2-oxoethyl]oxolane-2-carboxamide?
N-[2-(4-methylanilino)-2-oxoethyl]oxolane-2-carboxamide has a molecular weight of 262.31 g/mol, XLogP of 1.23, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-methylanilino)-2-oxoethyl]oxolane-2-carboxamide is sourced from PubChem (CID 112996161), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).