4-(oxolan-2-ylmethylamino)benzamide

C12H16N2O2 — CID 43179718

IUPAC4-(oxolan-2-ylmethylamino)benzamide
SMILESNC(=O)c1ccc(NCC2CCCO2)cc1
InChIInChI=1S/C12H16N2O2/c13-12(15)9-3-5-10(6-4-9)14-8-11-2-1-7-16-11/h3-6,11,14H,1-2,7-8H2,(H2,13,15)
InChIKeyCVZNENLLGMESJD-UHFFFAOYSA-N
MW220.27 g/mol
LogP1.38
Rot. Bonds4

About 4-(oxolan-2-ylmethylamino)benzamide

4-(oxolan-2-ylmethylamino)benzamide (PubChem CID 43179718) has the molecular formula C12H16N2O2 and a molecular weight of 220.27 g/mol. Its IUPAC name is 4-(oxolan-2-ylmethylamino)benzamide.

Molecular Properties

Compound Name4-(oxolan-2-ylmethylamino)benzamide
PubChem CID43179718
Molecular FormulaC12H16N2O2
Molecular Weight220.27 g/mol
Exact Mass220.12
IUPAC Name4-(oxolan-2-ylmethylamino)benzamide
SMILESNC(=O)c1ccc(NCC2CCCO2)cc1
InChIInChI=1S/C12H16N2O2/c13-12(15)9-3-5-10(6-4-9)14-8-11-2-1-7-16-11/h3-6,11,14H,1-2,7-8H2,(H2,13,15)
InChIKeyCVZNENLLGMESJD-UHFFFAOYSA-N
XLogP1.38
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.27
LogP ≤ 51.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-[4-[[(2R)-oxolan-2-yl]methylamino]phenyl]butan-1-one
CID 25127473
1-[4-(oxan-2-ylmethylamino)phenyl]ethanone
CID 115574155
[4-(oxolan-2-ylmethylamino)phenyl]methanol
CID 83962258
N-[4-(oxolan-2-ylmethylamino)phenyl]butanamide
CID 112981160
1-[4-(oxolan-2-ylmethylamino)phenyl]-3-propan-2-ylurea
CID 112981227
4-[(4-ethylmorpholin-2-yl)methylamino]benzamide
CID 79166709
2-amino-4-(oxolan-2-ylmethylamino)benzoic acid
CID 104500178
3-methyl-N-[4-(oxolan-2-ylmethylamino)phenyl]butanamide
CID 112981162
4-[4-[[(2R)-oxolan-2-yl]methylcarbamoyl]phenoxy]benzamide
CID 95153483
N-[4-(oxolan-2-ylmethylamino)phenyl]methanesulfonamide
CID 82833910
4-[(5,5-dimethyloxolan-2-yl)methylamino]benzamide
CID 116521105
1-[2-amino-5-(oxolan-2-ylmethylamino)phenyl]ethanone
CID 104612228

Frequently Asked Questions

What is the IUPAC name of 4-(oxolan-2-ylmethylamino)benzamide?
The IUPAC name of 4-(oxolan-2-ylmethylamino)benzamide (CID 43179718) is 4-(oxolan-2-ylmethylamino)benzamide.
What is the SMILES notation for 4-(oxolan-2-ylmethylamino)benzamide?
The canonical SMILES for 4-(oxolan-2-ylmethylamino)benzamide is NC(=O)c1ccc(NCC2CCCO2)cc1.
What is the InChIKey of 4-(oxolan-2-ylmethylamino)benzamide?
The InChIKey is CVZNENLLGMESJD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N2O2/c13-12(15)9-3-5-10(6-4-9)14-8-11-2-1-7-16-11/h3-6,11,14H,1-2,7-8H2,(H2,13,15).
What are the key properties of 4-(oxolan-2-ylmethylamino)benzamide?
4-(oxolan-2-ylmethylamino)benzamide has a molecular weight of 220.27 g/mol, XLogP of 1.38, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(oxolan-2-ylmethylamino)benzamide is sourced from PubChem (CID 43179718), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).