3-amino-5-ethoxy-N-(3-methylbutan-2-yl)benzamide

C14H22N2O2 — CID 81091071

IUPAC3-amino-5-ethoxy-N-(3-methylbutan-2-yl)benzamide
SMILESCCOc1cc(N)cc(C(=O)NC(C)C(C)C)c1
InChIInChI=1S/C14H22N2O2/c1-5-18-13-7-11(6-12(15)8-13)14(17)16-10(4)9(2)3/h6-10H,5,15H2,1-4H3,(H,16,17)
InChIKeyDBLQZJBWAOYGIZ-UHFFFAOYSA-N
MW250.34 g/mol
LogP2.44
Rot. Bonds5

About 3-amino-5-ethoxy-N-(3-methylbutan-2-yl)benzamide

3-amino-5-ethoxy-N-(3-methylbutan-2-yl)benzamide (PubChem CID 81091071) has the molecular formula C14H22N2O2 and a molecular weight of 250.34 g/mol. Its IUPAC name is 3-amino-5-ethoxy-N-(3-methylbutan-2-yl)benzamide.

Molecular Properties

Compound Name3-amino-5-ethoxy-N-(3-methylbutan-2-yl)benzamide
PubChem CID81091071
Molecular FormulaC14H22N2O2
Molecular Weight250.34 g/mol
Exact Mass250.17
IUPAC Name3-amino-5-ethoxy-N-(3-methylbutan-2-yl)benzamide
SMILESCCOc1cc(N)cc(C(=O)NC(C)C(C)C)c1
InChIInChI=1S/C14H22N2O2/c1-5-18-13-7-11(6-12(15)8-13)14(17)16-10(4)9(2)3/h6-10H,5,15H2,1-4H3,(H,16,17)
InChIKeyDBLQZJBWAOYGIZ-UHFFFAOYSA-N
XLogP2.44
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.34
LogP ≤ 52.44
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

methyl 2-[(3-amino-5-ethoxybenzoyl)amino]propanoate
CID 81090097
3-amino-5-ethoxy-N-pentan-3-ylbenzamide
CID 81090876
3-amino-5-ethoxy-N-(1-ethoxypropan-2-yl)benzamide
CID 81089892
3-amino-5-ethoxy-N-(4-methoxybutan-2-yl)benzamide
CID 81092041
3-amino-5-ethoxy-N-(3-methyl-2-propan-2-ylbutyl)benzamide
CID 102903247
3-amino-5-ethoxy-N-(1-methoxybutan-2-yl)benzamide
CID 81091951
3-amino-5-ethoxy-N-(3-hydroxybutyl)benzamide
CID 81091443
3,5-diamino-N-(3-methylpentan-2-yl)benzamide
CID 54950045
methyl 3-amino-5-ethoxybenzoate
CID 45089063
2-[(3-amino-5-ethoxybenzoyl)amino]acetic acid
CID 114263436
3-amino-5-ethoxy-N-(2-hydroxyethyl)benzamide
CID 81090063
3-amino-5-ethoxy-N-[1-(4-methyl-1,2,4-triazol-3-yl)ethyl]benzamide
CID 81094398

Frequently Asked Questions

What is the IUPAC name of 3-amino-5-ethoxy-N-(3-methylbutan-2-yl)benzamide?
The IUPAC name of 3-amino-5-ethoxy-N-(3-methylbutan-2-yl)benzamide (CID 81091071) is 3-amino-5-ethoxy-N-(3-methylbutan-2-yl)benzamide.
What is the SMILES notation for 3-amino-5-ethoxy-N-(3-methylbutan-2-yl)benzamide?
The canonical SMILES for 3-amino-5-ethoxy-N-(3-methylbutan-2-yl)benzamide is CCOc1cc(N)cc(C(=O)NC(C)C(C)C)c1.
What is the InChIKey of 3-amino-5-ethoxy-N-(3-methylbutan-2-yl)benzamide?
The InChIKey is DBLQZJBWAOYGIZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2O2/c1-5-18-13-7-11(6-12(15)8-13)14(17)16-10(4)9(2)3/h6-10H,5,15H2,1-4H3,(H,16,17).
What are the key properties of 3-amino-5-ethoxy-N-(3-methylbutan-2-yl)benzamide?
3-amino-5-ethoxy-N-(3-methylbutan-2-yl)benzamide has a molecular weight of 250.34 g/mol, XLogP of 2.44, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-5-ethoxy-N-(3-methylbutan-2-yl)benzamide is sourced from PubChem (CID 81091071), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).