N-(2,2-dimethoxyethyl)-3-(2-hydroxypropan-2-yl)benzamide

C14H21NO4 — CID 110486080

IUPACN-(2,2-dimethoxyethyl)-3-(2-hydroxypropan-2-yl)benzamide
SMILESCOC(CNC(=O)c1cccc(C(C)(C)O)c1)OC
InChIInChI=1S/C14H21NO4/c1-14(2,17)11-7-5-6-10(8-11)13(16)15-9-12(18-3)19-4/h5-8,12,17H,9H2,1-4H3,(H,15,16)
InChIKeyVIHCWJADPSIDHV-UHFFFAOYSA-N
MW267.32 g/mol
LogP1.26
Rot. Bonds6

About N-(2,2-dimethoxyethyl)-3-(2-hydroxypropan-2-yl)benzamide

N-(2,2-dimethoxyethyl)-3-(2-hydroxypropan-2-yl)benzamide (PubChem CID 110486080) has the molecular formula C14H21NO4 and a molecular weight of 267.32 g/mol. Its IUPAC name is N-(2,2-dimethoxyethyl)-3-(2-hydroxypropan-2-yl)benzamide.

Molecular Properties

Compound NameN-(2,2-dimethoxyethyl)-3-(2-hydroxypropan-2-yl)benzamide
PubChem CID110486080
Molecular FormulaC14H21NO4
Molecular Weight267.32 g/mol
Exact Mass267.15
IUPAC NameN-(2,2-dimethoxyethyl)-3-(2-hydroxypropan-2-yl)benzamide
SMILESCOC(CNC(=O)c1cccc(C(C)(C)O)c1)OC
InChIInChI=1S/C14H21NO4/c1-14(2,17)11-7-5-6-10(8-11)13(16)15-9-12(18-3)19-4/h5-8,12,17H,9H2,1-4H3,(H,15,16)
InChIKeyVIHCWJADPSIDHV-UHFFFAOYSA-N
XLogP1.26
TPSA67.79 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.32
LogP ≤ 51.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

Analyze N-(2,2-dimethoxyethyl)-3-(2-hydroxypropan-2-yl)benzamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-(2,2-dimethoxyethyl)-3-hydroxybenzamide
CID 60653076
3-(difluoromethoxy)-N-(2,2-dimethoxyethyl)benzamide
CID 60653229
3-(2-hydroxypropan-2-yl)-N-(3-hydroxypropyl)benzamide
CID 110486052
N-(5-hydroxypentyl)-3-(2-hydroxypropan-2-yl)benzamide
CID 110486103
N-(1-hydroxy-2-methylpropan-2-yl)-3-(2-hydroxypropan-2-yl)benzamide
CID 110486078
N-(3-formamidopropyl)-3-(2-hydroxypropan-2-yl)benzamide
CID 110486069
methyl 3-(2-methylpropylcarbamoyl)benzoate
CID 108786629
N-(2,2-dimethoxyethyl)-3-hydroxy-4-methoxybenzamide
CID 79726174
3-(2-hydroxypropan-2-yl)-N-(1,3-thiazol-2-ylmethyl)benzamide
CID 110486058
N-(2,2-dimethoxyethyl)-3,5-difluorobenzamide
CID 55025954
N-(2-methoxypropyl)-3-sulfanylbenzamide
CID 107036660
N-(2,2-dimethoxyethyl)-2,3-dihydro-1H-isoindole-5-carboxamide
CID 103998690

Frequently Asked Questions

What is the IUPAC name of N-(2,2-dimethoxyethyl)-3-(2-hydroxypropan-2-yl)benzamide?
The IUPAC name of N-(2,2-dimethoxyethyl)-3-(2-hydroxypropan-2-yl)benzamide (CID 110486080) is N-(2,2-dimethoxyethyl)-3-(2-hydroxypropan-2-yl)benzamide.
What is the SMILES notation for N-(2,2-dimethoxyethyl)-3-(2-hydroxypropan-2-yl)benzamide?
The canonical SMILES for N-(2,2-dimethoxyethyl)-3-(2-hydroxypropan-2-yl)benzamide is COC(CNC(=O)c1cccc(C(C)(C)O)c1)OC.
What is the InChIKey of N-(2,2-dimethoxyethyl)-3-(2-hydroxypropan-2-yl)benzamide?
The InChIKey is VIHCWJADPSIDHV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21NO4/c1-14(2,17)11-7-5-6-10(8-11)13(16)15-9-12(18-3)19-4/h5-8,12,17H,9H2,1-4H3,(H,15,16).
What are the key properties of N-(2,2-dimethoxyethyl)-3-(2-hydroxypropan-2-yl)benzamide?
N-(2,2-dimethoxyethyl)-3-(2-hydroxypropan-2-yl)benzamide has a molecular weight of 267.32 g/mol, XLogP of 1.26, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,2-dimethoxyethyl)-3-(2-hydroxypropan-2-yl)benzamide is sourced from PubChem (CID 110486080), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).