3-amino-2-ethoxy-N-(2-hydroxypropyl)benzamide

C12H18N2O3 — CID 113386382

IUPAC3-amino-2-ethoxy-N-(2-hydroxypropyl)benzamide
SMILESCCOc1c(N)cccc1C(=O)NCC(C)O
InChIInChI=1S/C12H18N2O3/c1-3-17-11-9(5-4-6-10(11)13)12(16)14-7-8(2)15/h4-6,8,15H,3,7,13H2,1-2H3,(H,14,16)
InChIKeyUKQCCBQXMBGJHU-UHFFFAOYSA-N
MW238.29 g/mol
LogP0.78
Rot. Bonds5

About 3-amino-2-ethoxy-N-(2-hydroxypropyl)benzamide

3-amino-2-ethoxy-N-(2-hydroxypropyl)benzamide (PubChem CID 113386382) has the molecular formula C12H18N2O3 and a molecular weight of 238.29 g/mol. Its IUPAC name is 3-amino-2-ethoxy-N-(2-hydroxypropyl)benzamide.

Molecular Properties

Compound Name3-amino-2-ethoxy-N-(2-hydroxypropyl)benzamide
PubChem CID113386382
Molecular FormulaC12H18N2O3
Molecular Weight238.29 g/mol
Exact Mass238.13
IUPAC Name3-amino-2-ethoxy-N-(2-hydroxypropyl)benzamide
SMILESCCOc1c(N)cccc1C(=O)NCC(C)O
InChIInChI=1S/C12H18N2O3/c1-3-17-11-9(5-4-6-10(11)13)12(16)14-7-8(2)15/h4-6,8,15H,3,7,13H2,1-2H3,(H,14,16)
InChIKeyUKQCCBQXMBGJHU-UHFFFAOYSA-N
XLogP0.78
TPSA84.58 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.29
LogP ≤ 50.78
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

Analyze 3-amino-2-ethoxy-N-(2-hydroxypropyl)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-amino-N-[(2S)-2-hydroxypropyl]-2-methoxybenzamide
CID 107211143
3-amino-2-ethoxy-N-methylbenzamide
CID 112693169
2-amino-N-(2-hydroxypropyl)benzamide
CID 12562298
2-amino-N-(2-hydroxypropyl)benzamide;hydrochloride
CID 142025240
3-amino-N-(2,2-dimethylbutyl)-2-ethoxybenzamide
CID 103459929
3-amino-2-ethoxy-N-(1-methylsulfanylpropan-2-yl)benzamide
CID 113472635
3-amino-2-ethoxy-N-(5-hydroxypentyl)benzamide
CID 107316231
3-amino-N-(2,2-difluoro-3-hydroxypropyl)-2-ethoxybenzamide
CID 106164172
3-amino-2-ethoxy-N-pent-4-yn-2-ylbenzamide
CID 113476869
3-amino-2-ethoxy-N-[(2-oxo-3H-1,3-thiazol-4-yl)methyl]benzamide
CID 106379162
N-(2-hydroxypropyl)-1H-indole-4-carboxamide
CID 43501200
2-amino-3-fluoro-N-[(2R)-2-hydroxypropyl]benzamide
CID 96696408

Frequently Asked Questions

What is the IUPAC name of 3-amino-2-ethoxy-N-(2-hydroxypropyl)benzamide?
The IUPAC name of 3-amino-2-ethoxy-N-(2-hydroxypropyl)benzamide (CID 113386382) is 3-amino-2-ethoxy-N-(2-hydroxypropyl)benzamide.
What is the SMILES notation for 3-amino-2-ethoxy-N-(2-hydroxypropyl)benzamide?
The canonical SMILES for 3-amino-2-ethoxy-N-(2-hydroxypropyl)benzamide is CCOc1c(N)cccc1C(=O)NCC(C)O.
What is the InChIKey of 3-amino-2-ethoxy-N-(2-hydroxypropyl)benzamide?
The InChIKey is UKQCCBQXMBGJHU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N2O3/c1-3-17-11-9(5-4-6-10(11)13)12(16)14-7-8(2)15/h4-6,8,15H,3,7,13H2,1-2H3,(H,14,16).
What are the key properties of 3-amino-2-ethoxy-N-(2-hydroxypropyl)benzamide?
3-amino-2-ethoxy-N-(2-hydroxypropyl)benzamide has a molecular weight of 238.29 g/mol, XLogP of 0.78, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-2-ethoxy-N-(2-hydroxypropyl)benzamide is sourced from PubChem (CID 113386382), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).