3-methyl-4-[(2-methyloxolan-3-yl)amino]benzamide

C13H18N2O2 — CID 82727685

IUPAC3-methyl-4-[(2-methyloxolan-3-yl)amino]benzamide
SMILESCc1cc(C(N)=O)ccc1NC1CCOC1C
InChIInChI=1S/C13H18N2O2/c1-8-7-10(13(14)16)3-4-11(8)15-12-5-6-17-9(12)2/h3-4,7,9,12,15H,5-6H2,1-2H3,(H2,14,16)
InChIKeyQWPARDPVPQRUJX-UHFFFAOYSA-N
MW234.30 g/mol
LogP1.68
Rot. Bonds3

About 3-methyl-4-[(2-methyloxolan-3-yl)amino]benzamide

3-methyl-4-[(2-methyloxolan-3-yl)amino]benzamide (PubChem CID 82727685) has the molecular formula C13H18N2O2 and a molecular weight of 234.30 g/mol. Its IUPAC name is 3-methyl-4-[(2-methyloxolan-3-yl)amino]benzamide.

Molecular Properties

Compound Name3-methyl-4-[(2-methyloxolan-3-yl)amino]benzamide
PubChem CID82727685
Molecular FormulaC13H18N2O2
Molecular Weight234.30 g/mol
Exact Mass234.14
IUPAC Name3-methyl-4-[(2-methyloxolan-3-yl)amino]benzamide
SMILESCc1cc(C(N)=O)ccc1NC1CCOC1C
InChIInChI=1S/C13H18N2O2/c1-8-7-10(13(14)16)3-4-11(8)15-12-5-6-17-9(12)2/h3-4,7,9,12,15H,5-6H2,1-2H3,(H2,14,16)
InChIKeyQWPARDPVPQRUJX-UHFFFAOYSA-N
XLogP1.68
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.30
LogP ≤ 51.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-methyl-3-[(2-methyloxolan-3-yl)amino]benzoic acid
CID 82727307
methyl 3-amino-4-[(2-methyloxolan-3-yl)amino]benzoate
CID 82736514
3-methyl-4-[(3-methylcyclobutyl)amino]benzamide
CID 103561285
2-methyl-N-(2-methylphenyl)oxolan-3-amine
CID 75525382
2,4-difluoro-5-[(2-methyloxolan-3-yl)amino]benzamide
CID 82727285
[3-[(2-methyloxolan-3-yl)amino]phenyl]urea
CID 82727169
3-amino-4-[(2-methylcyclopentyl)amino]benzamide
CID 63278285
4-bromo-3-methyl-N-(2-methyloxolan-3-yl)benzamide
CID 115868342
3-methyl-4-(oxolan-3-ylmethylamino)benzamide
CID 43706987
(2R,3S)-N-(2-fluoro-4-methylphenyl)-2-methyloxolan-3-amine
CID 97358584
4-[[2-(4-aminopiperidin-1-yl)acetyl]amino]-3-methylbenzamide
CID 79322701
N-(4-carbamoyl-2-methylphenyl)piperidine-4-carboxamide
CID 43706641

Frequently Asked Questions

What is the IUPAC name of 3-methyl-4-[(2-methyloxolan-3-yl)amino]benzamide?
The IUPAC name of 3-methyl-4-[(2-methyloxolan-3-yl)amino]benzamide (CID 82727685) is 3-methyl-4-[(2-methyloxolan-3-yl)amino]benzamide.
What is the SMILES notation for 3-methyl-4-[(2-methyloxolan-3-yl)amino]benzamide?
The canonical SMILES for 3-methyl-4-[(2-methyloxolan-3-yl)amino]benzamide is Cc1cc(C(N)=O)ccc1NC1CCOC1C.
What is the InChIKey of 3-methyl-4-[(2-methyloxolan-3-yl)amino]benzamide?
The InChIKey is QWPARDPVPQRUJX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N2O2/c1-8-7-10(13(14)16)3-4-11(8)15-12-5-6-17-9(12)2/h3-4,7,9,12,15H,5-6H2,1-2H3,(H2,14,16).
What are the key properties of 3-methyl-4-[(2-methyloxolan-3-yl)amino]benzamide?
3-methyl-4-[(2-methyloxolan-3-yl)amino]benzamide has a molecular weight of 234.30 g/mol, XLogP of 1.68, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-4-[(2-methyloxolan-3-yl)amino]benzamide is sourced from PubChem (CID 82727685), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).