3-amino-5-ethoxy-N-(4-methoxybutan-2-yl)benzamide

C14H22N2O3 — CID 81092041

IUPAC3-amino-5-ethoxy-N-(4-methoxybutan-2-yl)benzamide
SMILESCCOc1cc(N)cc(C(=O)NC(C)CCOC)c1
InChIInChI=1S/C14H22N2O3/c1-4-19-13-8-11(7-12(15)9-13)14(17)16-10(2)5-6-18-3/h7-10H,4-6,15H2,1-3H3,(H,16,17)
InChIKeyLRSXJGBZRFBJJN-UHFFFAOYSA-N
MW266.34 g/mol
LogP1.82
Rot. Bonds7

About 3-amino-5-ethoxy-N-(4-methoxybutan-2-yl)benzamide

3-amino-5-ethoxy-N-(4-methoxybutan-2-yl)benzamide (PubChem CID 81092041) has the molecular formula C14H22N2O3 and a molecular weight of 266.34 g/mol. Its IUPAC name is 3-amino-5-ethoxy-N-(4-methoxybutan-2-yl)benzamide.

Molecular Properties

Compound Name3-amino-5-ethoxy-N-(4-methoxybutan-2-yl)benzamide
PubChem CID81092041
Molecular FormulaC14H22N2O3
Molecular Weight266.34 g/mol
Exact Mass266.16
IUPAC Name3-amino-5-ethoxy-N-(4-methoxybutan-2-yl)benzamide
SMILESCCOc1cc(N)cc(C(=O)NC(C)CCOC)c1
InChIInChI=1S/C14H22N2O3/c1-4-19-13-8-11(7-12(15)9-13)14(17)16-10(2)5-6-18-3/h7-10H,4-6,15H2,1-3H3,(H,16,17)
InChIKeyLRSXJGBZRFBJJN-UHFFFAOYSA-N
XLogP1.82
TPSA73.58 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.34
LogP ≤ 51.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

3-amino-5-ethoxy-N-(1-ethoxypropan-2-yl)benzamide
CID 81089892
methyl 2-[(3-amino-5-ethoxybenzoyl)amino]propanoate
CID 81090097
3-amino-5-ethoxy-N-(1-methoxybutan-2-yl)benzamide
CID 81091951
3-amino-5-ethoxy-N-(3-methylbutan-2-yl)benzamide
CID 81091071
3-amino-5-ethoxy-N-pentan-3-ylbenzamide
CID 81090876
3-amino-N-hexan-2-yl-5-methoxybenzamide
CID 81090278
3-amino-5-ethoxy-N-(3-hydroxybutyl)benzamide
CID 81091443
methyl 3-amino-5-ethoxybenzoate
CID 45089063
3-amino-5-ethoxy-N-(3-methyl-2-propan-2-ylbutyl)benzamide
CID 102903247
3,5-dibromo-N-(4-methoxybutan-2-yl)benzamide
CID 103908423
3-methylbutyl 3-amino-5-ethoxybenzoate
CID 81091232
2-[(3-amino-5-ethoxybenzoyl)amino]acetic acid
CID 114263436

Frequently Asked Questions

What is the IUPAC name of 3-amino-5-ethoxy-N-(4-methoxybutan-2-yl)benzamide?
The IUPAC name of 3-amino-5-ethoxy-N-(4-methoxybutan-2-yl)benzamide (CID 81092041) is 3-amino-5-ethoxy-N-(4-methoxybutan-2-yl)benzamide.
What is the SMILES notation for 3-amino-5-ethoxy-N-(4-methoxybutan-2-yl)benzamide?
The canonical SMILES for 3-amino-5-ethoxy-N-(4-methoxybutan-2-yl)benzamide is CCOc1cc(N)cc(C(=O)NC(C)CCOC)c1.
What is the InChIKey of 3-amino-5-ethoxy-N-(4-methoxybutan-2-yl)benzamide?
The InChIKey is LRSXJGBZRFBJJN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2O3/c1-4-19-13-8-11(7-12(15)9-13)14(17)16-10(2)5-6-18-3/h7-10H,4-6,15H2,1-3H3,(H,16,17).
What are the key properties of 3-amino-5-ethoxy-N-(4-methoxybutan-2-yl)benzamide?
3-amino-5-ethoxy-N-(4-methoxybutan-2-yl)benzamide has a molecular weight of 266.34 g/mol, XLogP of 1.82, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-5-ethoxy-N-(4-methoxybutan-2-yl)benzamide is sourced from PubChem (CID 81092041), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).