2-amino-3-ethoxybenzamide

C9H12N2O2 — CID 70121071

IUPAC2-amino-3-ethoxybenzamide
SMILESCCOc1cccc(C(N)=O)c1N
InChIInChI=1S/C9H12N2O2/c1-2-13-7-5-3-4-6(8(7)10)9(11)12/h3-5H,2,10H2,1H3,(H2,11,12)
InChIKeyIZRKEEIUVUOGMX-UHFFFAOYSA-N
MW180.21 g/mol
LogP0.77
Rot. Bonds3

About 2-amino-3-ethoxybenzamide

2-amino-3-ethoxybenzamide (PubChem CID 70121071) has the molecular formula C9H12N2O2 and a molecular weight of 180.21 g/mol. Its IUPAC name is 2-amino-3-ethoxybenzamide.

Molecular Properties

Compound Name2-amino-3-ethoxybenzamide
PubChem CID70121071
Molecular FormulaC9H12N2O2
Molecular Weight180.21 g/mol
Exact Mass180.09
IUPAC Name2-amino-3-ethoxybenzamide
SMILESCCOc1cccc(C(N)=O)c1N
InChIInChI=1S/C9H12N2O2/c1-2-13-7-5-3-4-6(8(7)10)9(11)12/h3-5H,2,10H2,1H3,(H2,11,12)
InChIKeyIZRKEEIUVUOGMX-UHFFFAOYSA-N
XLogP0.77
TPSA78.34 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500180.21
LogP ≤ 50.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-amino-3-(3,3-dimethylbutoxy)benzamide
CID 115547344
2-amino-3-(2-methylbutan-2-yloxy)benzamide
CID 115547085
2-amino-3-(4,4,4-trifluorobutoxy)benzamide
CID 82787642
1-(2-amino-3-ethoxyphenyl)propan-2-one
CID 118841297
2-ethoxybenzenecarboperoxoic acid
CID 22314606
1-[2-amino-3-(aminomethoxy)phenyl]ethanone
CID 67709541
3-ethoxy-2-(sulfanylidenecarbamoylamino)benzamide
CID 123411149
ethane;5-ethoxy-9-ethylcarbazole-4-carboxamide
CID 91519432
2-amino-3-butoxybenzoic acid
CID 61039870
2-amino-3-(1-methoxypropan-2-yloxy)benzamide
CID 115547300
(2-amino-3-ethoxyphenyl)boronic acid
CID 68788606
ethyl 2-amino-3-(cyclopentylmethoxy)benzoate
CID 115547349

Frequently Asked Questions

What is the IUPAC name of 2-amino-3-ethoxybenzamide?
The IUPAC name of 2-amino-3-ethoxybenzamide (CID 70121071) is 2-amino-3-ethoxybenzamide.
What is the SMILES notation for 2-amino-3-ethoxybenzamide?
The canonical SMILES for 2-amino-3-ethoxybenzamide is CCOc1cccc(C(N)=O)c1N.
What is the InChIKey of 2-amino-3-ethoxybenzamide?
The InChIKey is IZRKEEIUVUOGMX-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12N2O2/c1-2-13-7-5-3-4-6(8(7)10)9(11)12/h3-5H,2,10H2,1H3,(H2,11,12).
What are the key properties of 2-amino-3-ethoxybenzamide?
2-amino-3-ethoxybenzamide has a molecular weight of 180.21 g/mol, XLogP of 0.77, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-3-ethoxybenzamide is sourced from PubChem (CID 70121071), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).