3-amino-4-ethoxy-N-(1-hydroxybutan-2-yl)benzamide

C13H20N2O3 — CID 61094806

IUPAC3-amino-4-ethoxy-N-(1-hydroxybutan-2-yl)benzamide
SMILESCCOc1ccc(C(=O)NC(CC)CO)cc1N
InChIInChI=1S/C13H20N2O3/c1-3-10(8-16)15-13(17)9-5-6-12(18-4-2)11(14)7-9/h5-7,10,16H,3-4,8,14H2,1-2H3,(H,15,17)
InChIKeyWSJYSXZOHMYFKJ-UHFFFAOYSA-N
MW252.31 g/mol
LogP1.17
Rot. Bonds6

About 3-amino-4-ethoxy-N-(1-hydroxybutan-2-yl)benzamide

3-amino-4-ethoxy-N-(1-hydroxybutan-2-yl)benzamide (PubChem CID 61094806) has the molecular formula C13H20N2O3 and a molecular weight of 252.31 g/mol. Its IUPAC name is 3-amino-4-ethoxy-N-(1-hydroxybutan-2-yl)benzamide.

Molecular Properties

Compound Name3-amino-4-ethoxy-N-(1-hydroxybutan-2-yl)benzamide
PubChem CID61094806
Molecular FormulaC13H20N2O3
Molecular Weight252.31 g/mol
Exact Mass252.15
IUPAC Name3-amino-4-ethoxy-N-(1-hydroxybutan-2-yl)benzamide
SMILESCCOc1ccc(C(=O)NC(CC)CO)cc1N
InChIInChI=1S/C13H20N2O3/c1-3-10(8-16)15-13(17)9-5-6-12(18-4-2)11(14)7-9/h5-7,10,16H,3-4,8,14H2,1-2H3,(H,15,17)
InChIKeyWSJYSXZOHMYFKJ-UHFFFAOYSA-N
XLogP1.17
TPSA84.58 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.31
LogP ≤ 51.17
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

3-ethoxy-N-(1-hydroxybutan-2-yl)-4-methoxybenzamide
CID 43418103
ethyl 2-[(3-amino-4-ethoxybenzoyl)amino]propanoate
CID 61498178
4-amino-N-[(2S)-1-hydroxybutan-2-yl]-3-methylbenzamide
CID 93081057
methyl 2-[(3-amino-4-ethoxybenzoyl)amino]-3-methylbutanoate
CID 61095584
3-(3-amino-4-ethoxyphenyl)-N-(1-hydroxybutan-2-yl)propanamide
CID 82152685
2-amino-6-ethoxy-N-[(2R)-1-hydroxybutan-2-yl]benzamide
CID 107211215
3-amino-4-ethoxy-N-(1-methylsulfonylpropan-2-yl)benzamide
CID 64628978
3-amino-4-ethoxy-N-(2-hydroxyethyl)benzamide
CID 61093968
3-amino-4-ethoxy-N-octan-2-ylbenzamide
CID 61476185
3-amino-N-[1-(dimethylamino)-3-methylbutan-2-yl]-4-ethoxybenzamide
CID 61476191
3-amino-4-ethoxy-N-(1-thiophen-2-ylethyl)benzamide
CID 61093835
3,4-diethoxy-N-(1-hydroxypropan-2-yl)benzamide
CID 43418840

Frequently Asked Questions

What is the IUPAC name of 3-amino-4-ethoxy-N-(1-hydroxybutan-2-yl)benzamide?
The IUPAC name of 3-amino-4-ethoxy-N-(1-hydroxybutan-2-yl)benzamide (CID 61094806) is 3-amino-4-ethoxy-N-(1-hydroxybutan-2-yl)benzamide.
What is the SMILES notation for 3-amino-4-ethoxy-N-(1-hydroxybutan-2-yl)benzamide?
The canonical SMILES for 3-amino-4-ethoxy-N-(1-hydroxybutan-2-yl)benzamide is CCOc1ccc(C(=O)NC(CC)CO)cc1N.
What is the InChIKey of 3-amino-4-ethoxy-N-(1-hydroxybutan-2-yl)benzamide?
The InChIKey is WSJYSXZOHMYFKJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N2O3/c1-3-10(8-16)15-13(17)9-5-6-12(18-4-2)11(14)7-9/h5-7,10,16H,3-4,8,14H2,1-2H3,(H,15,17).
What are the key properties of 3-amino-4-ethoxy-N-(1-hydroxybutan-2-yl)benzamide?
3-amino-4-ethoxy-N-(1-hydroxybutan-2-yl)benzamide has a molecular weight of 252.31 g/mol, XLogP of 1.17, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-4-ethoxy-N-(1-hydroxybutan-2-yl)benzamide is sourced from PubChem (CID 61094806), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).