3-amino-N-ethyl-4-[(4-methylphenyl)methoxy]benzamide

C17H20N2O2 — CID 82070214

IUPAC3-amino-N-ethyl-4-[(4-methylphenyl)methoxy]benzamide
SMILESCCNC(=O)c1ccc(OCc2ccc(C)cc2)c(N)c1
InChIInChI=1S/C17H20N2O2/c1-3-19-17(20)14-8-9-16(15(18)10-14)21-11-13-6-4-12(2)5-7-13/h4-10H,3,11,18H2,1-2H3,(H,19,20)
InChIKeyUFANCIHIELGCPJ-UHFFFAOYSA-N
MW284.36 g/mol
LogP2.91
Rot. Bonds5

About 3-amino-N-ethyl-4-[(4-methylphenyl)methoxy]benzamide

3-amino-N-ethyl-4-[(4-methylphenyl)methoxy]benzamide (PubChem CID 82070214) has the molecular formula C17H20N2O2 and a molecular weight of 284.36 g/mol. Its IUPAC name is 3-amino-N-ethyl-4-[(4-methylphenyl)methoxy]benzamide.

Molecular Properties

Compound Name3-amino-N-ethyl-4-[(4-methylphenyl)methoxy]benzamide
PubChem CID82070214
Molecular FormulaC17H20N2O2
Molecular Weight284.36 g/mol
Exact Mass284.15
IUPAC Name3-amino-N-ethyl-4-[(4-methylphenyl)methoxy]benzamide
SMILESCCNC(=O)c1ccc(OCc2ccc(C)cc2)c(N)c1
InChIInChI=1S/C17H20N2O2/c1-3-19-17(20)14-8-9-16(15(18)10-14)21-11-13-6-4-12(2)5-7-13/h4-10H,3,11,18H2,1-2H3,(H,19,20)
InChIKeyUFANCIHIELGCPJ-UHFFFAOYSA-N
XLogP2.91
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.36
LogP ≤ 52.91
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

ethyl 3-amino-4-[(4-methylphenyl)methoxy]benzoate
CID 82057337
propyl 3-amino-4-[(4-methylphenyl)methoxy]benzoate
CID 82057351
3-amino-N-ethyl-4-(furan-2-ylmethoxy)benzamide
CID 82999492
3-amino-4-[(2-bromophenyl)methoxy]-N-ethylbenzamide
CID 82990987
3-amino-N-ethyl-4-(thiophen-2-ylmethoxy)benzamide
CID 82999856
3-amino-4-[(4-fluorophenyl)methoxy]-N-methylbenzamide
CID 82070222
3-amino-N-ethyl-4-[2-(2-methylpropoxy)ethoxy]benzamide
CID 106446783
methyl 3-amino-4-[(3,5-dimethylphenyl)methoxy]benzoate
CID 61029764
3-amino-N-[(4-chlorophenyl)methyl]-4-ethoxybenzamide
CID 61095701
3-amino-N-ethyl-4-(4-fluoro-2-methylphenoxy)benzamide
CID 82990983
3-amino-N-[(4-bromophenyl)methyl]-4-ethoxybenzamide
CID 61090989
3-amino-4-ethoxy-N-(2-hydroxyethyl)benzamide
CID 61093968

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-ethyl-4-[(4-methylphenyl)methoxy]benzamide?
The IUPAC name of 3-amino-N-ethyl-4-[(4-methylphenyl)methoxy]benzamide (CID 82070214) is 3-amino-N-ethyl-4-[(4-methylphenyl)methoxy]benzamide.
What is the SMILES notation for 3-amino-N-ethyl-4-[(4-methylphenyl)methoxy]benzamide?
The canonical SMILES for 3-amino-N-ethyl-4-[(4-methylphenyl)methoxy]benzamide is CCNC(=O)c1ccc(OCc2ccc(C)cc2)c(N)c1.
What is the InChIKey of 3-amino-N-ethyl-4-[(4-methylphenyl)methoxy]benzamide?
The InChIKey is UFANCIHIELGCPJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N2O2/c1-3-19-17(20)14-8-9-16(15(18)10-14)21-11-13-6-4-12(2)5-7-13/h4-10H,3,11,18H2,1-2H3,(H,19,20).
What are the key properties of 3-amino-N-ethyl-4-[(4-methylphenyl)methoxy]benzamide?
3-amino-N-ethyl-4-[(4-methylphenyl)methoxy]benzamide has a molecular weight of 284.36 g/mol, XLogP of 2.91, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-ethyl-4-[(4-methylphenyl)methoxy]benzamide is sourced from PubChem (CID 82070214), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).