N-[2,2-dimethyl-3-(methylamino)-3-oxopropyl]-2-hydroxybenzamide

C13H18N2O3 — CID 103824551

IUPACN-[2,2-dimethyl-3-(methylamino)-3-oxopropyl]-2-hydroxybenzamide
SMILESCNC(=O)C(C)(C)CNC(=O)c1ccccc1O
InChIInChI=1S/C13H18N2O3/c1-13(2,12(18)14-3)8-15-11(17)9-6-4-5-7-10(9)16/h4-7,16H,8H2,1-3H3,(H,14,18)(H,15,17)
InChIKeyBQBGRGSJBDFSLB-UHFFFAOYSA-N
MW250.30 g/mol
LogP0.89
Rot. Bonds4

About N-[2,2-dimethyl-3-(methylamino)-3-oxopropyl]-2-hydroxybenzamide

N-[2,2-dimethyl-3-(methylamino)-3-oxopropyl]-2-hydroxybenzamide (PubChem CID 103824551) has the molecular formula C13H18N2O3 and a molecular weight of 250.30 g/mol. Its IUPAC name is N-[2,2-dimethyl-3-(methylamino)-3-oxopropyl]-2-hydroxybenzamide.

Molecular Properties

Compound NameN-[2,2-dimethyl-3-(methylamino)-3-oxopropyl]-2-hydroxybenzamide
PubChem CID103824551
Molecular FormulaC13H18N2O3
Molecular Weight250.30 g/mol
Exact Mass250.13
IUPAC NameN-[2,2-dimethyl-3-(methylamino)-3-oxopropyl]-2-hydroxybenzamide
SMILESCNC(=O)C(C)(C)CNC(=O)c1ccccc1O
InChIInChI=1S/C13H18N2O3/c1-13(2,12(18)14-3)8-15-11(17)9-6-4-5-7-10(9)16/h4-7,16H,8H2,1-3H3,(H,14,18)(H,15,17)
InChIKeyBQBGRGSJBDFSLB-UHFFFAOYSA-N
XLogP0.89
TPSA78.43 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.30
LogP ≤ 50.89
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

2-[[2,2-dimethyl-3-(methylamino)-3-oxopropyl]carbamoyl]benzoic acid
CID 106275615
N-(2,2-dimethylbutyl)-2-hydroxybenzamide
CID 103461996
3-bromo-2-chloro-N-[2,2-dimethyl-3-(methylamino)-3-oxopropyl]benzamide
CID 103992187
3-amino-N-[2,2-dimethyl-3-(methylamino)-3-oxopropyl]-2-methoxybenzamide
CID 106274696
2-hydroxy-N-(5-hydroxy-2,2-dimethylpentyl)benzamide
CID 113348236
N-[2,2-dimethyl-3-(methylamino)-3-oxopropyl]-4-(methylamino)pyridine-3-carboxamide
CID 106280202
2-amino-5-bromo-N-[2,2-dimethyl-3-(methylamino)-3-oxopropyl]benzamide
CID 106278672
2-amino-N-[2,2-dimethyl-3-(methylamino)-3-oxopropyl]-5-methylbenzamide
CID 106274732
3-[(2-chloro-2-phenylacetyl)amino]-N,2,2-trimethylpropanamide
CID 106275818
N-[2,2-dimethyl-3-(methylamino)-3-oxopropyl]-4-hydrazinyl-2-methylbenzamide
CID 106280283
N-(3-amino-2,2-difluoropropyl)-2-hydroxybenzamide
CID 114383534
N'-(2,2-dimethylpropyl)-2-hydroxybenzohydrazide
CID 1275966

Frequently Asked Questions

What is the IUPAC name of N-[2,2-dimethyl-3-(methylamino)-3-oxopropyl]-2-hydroxybenzamide?
The IUPAC name of N-[2,2-dimethyl-3-(methylamino)-3-oxopropyl]-2-hydroxybenzamide (CID 103824551) is N-[2,2-dimethyl-3-(methylamino)-3-oxopropyl]-2-hydroxybenzamide.
What is the SMILES notation for N-[2,2-dimethyl-3-(methylamino)-3-oxopropyl]-2-hydroxybenzamide?
The canonical SMILES for N-[2,2-dimethyl-3-(methylamino)-3-oxopropyl]-2-hydroxybenzamide is CNC(=O)C(C)(C)CNC(=O)c1ccccc1O.
What is the InChIKey of N-[2,2-dimethyl-3-(methylamino)-3-oxopropyl]-2-hydroxybenzamide?
The InChIKey is BQBGRGSJBDFSLB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N2O3/c1-13(2,12(18)14-3)8-15-11(17)9-6-4-5-7-10(9)16/h4-7,16H,8H2,1-3H3,(H,14,18)(H,15,17).
What are the key properties of N-[2,2-dimethyl-3-(methylamino)-3-oxopropyl]-2-hydroxybenzamide?
N-[2,2-dimethyl-3-(methylamino)-3-oxopropyl]-2-hydroxybenzamide has a molecular weight of 250.30 g/mol, XLogP of 0.89, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2,2-dimethyl-3-(methylamino)-3-oxopropyl]-2-hydroxybenzamide is sourced from PubChem (CID 103824551), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).