N-(2-amino-2-oxoethoxy)-3-(2-methylpropoxy)benzamide

C13H18N2O4 — CID 112551104

IUPACN-(2-amino-2-oxoethoxy)-3-(2-methylpropoxy)benzamide
SMILESCC(C)COc1cccc(C(=O)NOCC(N)=O)c1
InChIInChI=1S/C13H18N2O4/c1-9(2)7-18-11-5-3-4-10(6-11)13(17)15-19-8-12(14)16/h3-6,9H,7-8H2,1-2H3,(H2,14,16)(H,15,17)
InChIKeyHVTDYJJILKHFFX-UHFFFAOYSA-N
MW266.30 g/mol
LogP0.87
Rot. Bonds7

About N-(2-amino-2-oxoethoxy)-3-(2-methylpropoxy)benzamide

N-(2-amino-2-oxoethoxy)-3-(2-methylpropoxy)benzamide (PubChem CID 112551104) has the molecular formula C13H18N2O4 and a molecular weight of 266.30 g/mol. Its IUPAC name is N-(2-amino-2-oxoethoxy)-3-(2-methylpropoxy)benzamide.

Molecular Properties

Compound NameN-(2-amino-2-oxoethoxy)-3-(2-methylpropoxy)benzamide
PubChem CID112551104
Molecular FormulaC13H18N2O4
Molecular Weight266.30 g/mol
Exact Mass266.13
IUPAC NameN-(2-amino-2-oxoethoxy)-3-(2-methylpropoxy)benzamide
SMILESCC(C)COc1cccc(C(=O)NOCC(N)=O)c1
InChIInChI=1S/C13H18N2O4/c1-9(2)7-18-11-5-3-4-10(6-11)13(17)15-19-8-12(14)16/h3-6,9H,7-8H2,1-2H3,(H2,14,16)(H,15,17)
InChIKeyHVTDYJJILKHFFX-UHFFFAOYSA-N
XLogP0.87
TPSA90.65 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.30
LogP ≤ 50.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze N-(2-amino-2-oxoethoxy)-3-(2-methylpropoxy)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

3-(difluoromethoxy)-N-(2-methylpropoxy)benzamide
CID 113304412
N-cyclopentyloxy-3-(2-methylpropoxy)benzamide
CID 83201941
N-[(2S)-2-hydroxypropyl]-3-(2-methylpropoxy)benzamide
CID 83030958
N-[(3,5-dichlorophenyl)carbamothioyl]-3-(2-methylpropoxy)benzamide
CID 17140531
N-[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]-3-(2-methylpropoxy)benzamide
CID 107845536
3-(2-methylpropoxy)benzoyl chloride
CID 4772728
(2S)-3-methyl-2-[[3-(2-methylpropoxy)benzoyl]amino]butanoic acid
CID 61136776
N-(3-hydroxy-2-methylpropyl)-3-(2-methylpropoxy)benzamide
CID 65037333
[2-(3-methylbutan-2-ylamino)-2-oxoethyl] 3-(2-methylpropoxy)benzoate
CID 46806226
2-hydroxy-3-[[3-(2-methylpropoxy)benzoyl]amino]propanoic acid
CID 66168078
N-(4-hydroxybutyl)-3-(2-methylpropoxy)benzamide
CID 106842963
N-(2-hydroxypropylcarbamothioyl)-3-(2-methylpropoxy)benzamide
CID 17161995

Frequently Asked Questions

What is the IUPAC name of N-(2-amino-2-oxoethoxy)-3-(2-methylpropoxy)benzamide?
The IUPAC name of N-(2-amino-2-oxoethoxy)-3-(2-methylpropoxy)benzamide (CID 112551104) is N-(2-amino-2-oxoethoxy)-3-(2-methylpropoxy)benzamide.
What is the SMILES notation for N-(2-amino-2-oxoethoxy)-3-(2-methylpropoxy)benzamide?
The canonical SMILES for N-(2-amino-2-oxoethoxy)-3-(2-methylpropoxy)benzamide is CC(C)COc1cccc(C(=O)NOCC(N)=O)c1.
What is the InChIKey of N-(2-amino-2-oxoethoxy)-3-(2-methylpropoxy)benzamide?
The InChIKey is HVTDYJJILKHFFX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N2O4/c1-9(2)7-18-11-5-3-4-10(6-11)13(17)15-19-8-12(14)16/h3-6,9H,7-8H2,1-2H3,(H2,14,16)(H,15,17).
What are the key properties of N-(2-amino-2-oxoethoxy)-3-(2-methylpropoxy)benzamide?
N-(2-amino-2-oxoethoxy)-3-(2-methylpropoxy)benzamide has a molecular weight of 266.30 g/mol, XLogP of 0.87, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-amino-2-oxoethoxy)-3-(2-methylpropoxy)benzamide is sourced from PubChem (CID 112551104), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).