4-amino-3-methoxy-N-[1-(4-methylphenyl)ethyl]benzamide

C17H20N2O2 — CID 104782504

IUPAC4-amino-3-methoxy-N-[1-(4-methylphenyl)ethyl]benzamide
SMILESCOc1cc(C(=O)NC(C)c2ccc(C)cc2)ccc1N
InChIInChI=1S/C17H20N2O2/c1-11-4-6-13(7-5-11)12(2)19-17(20)14-8-9-15(18)16(10-14)21-3/h4-10,12H,18H2,1-3H3,(H,19,20)
InChIKeyHEHGFEFPENEBMH-UHFFFAOYSA-N
MW284.36 g/mol
LogP3.08
Rot. Bonds4

About 4-amino-3-methoxy-N-[1-(4-methylphenyl)ethyl]benzamide

4-amino-3-methoxy-N-[1-(4-methylphenyl)ethyl]benzamide (PubChem CID 104782504) has the molecular formula C17H20N2O2 and a molecular weight of 284.36 g/mol. Its IUPAC name is 4-amino-3-methoxy-N-[1-(4-methylphenyl)ethyl]benzamide.

Molecular Properties

Compound Name4-amino-3-methoxy-N-[1-(4-methylphenyl)ethyl]benzamide
PubChem CID104782504
Molecular FormulaC17H20N2O2
Molecular Weight284.36 g/mol
Exact Mass284.15
IUPAC Name4-amino-3-methoxy-N-[1-(4-methylphenyl)ethyl]benzamide
SMILESCOc1cc(C(=O)NC(C)c2ccc(C)cc2)ccc1N
InChIInChI=1S/C17H20N2O2/c1-11-4-6-13(7-5-11)12(2)19-17(20)14-8-9-15(18)16(10-14)21-3/h4-10,12H,18H2,1-3H3,(H,19,20)
InChIKeyHEHGFEFPENEBMH-UHFFFAOYSA-N
XLogP3.08
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.36
LogP ≤ 53.08
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

3-bromo-4-methoxy-N-[1-(4-methylphenyl)ethyl]benzamide
CID 60739360
3,4-dimethyl-N-[(1R)-1-(4-methylphenyl)ethyl]benzamide
CID 94195982
3-amino-4-chloro-N-[(1S)-1-(4-methylphenyl)ethyl]benzamide
CID 81355966
3,4-dimethoxy-N-[1-(4-propan-2-ylphenyl)ethyl]benzamide
CID 17328593
3,4-dimethoxy-N-[(1S)-1-(4-methoxyphenyl)ethyl]benzamide
CID 831207
N-[1-(4-chlorophenyl)ethyl]-3-methoxy-4-methylbenzamide
CID 134013068
3,5-dimethoxy-N-[(1S)-1-(4-methylphenyl)ethyl]benzamide
CID 94012593
4-amino-N-[1-(2-fluorophenyl)ethyl]-3-methoxybenzamide
CID 104782521
4-amino-N-[1-(3,5-dimethyl-1,2-oxazol-4-yl)ethyl]-3-methoxybenzamide
CID 104783070
3-methoxy-4-methyl-N-[(1S)-1-phenylethyl]benzamide
CID 26009148
N-[1-(4-bromophenyl)ethyl]-3,4-dimethoxybenzamide
CID 43874047
4-amino-3-chloro-N-[(1S)-1-(4-methoxyphenyl)ethyl]benzamide
CID 81368815

Frequently Asked Questions

What is the IUPAC name of 4-amino-3-methoxy-N-[1-(4-methylphenyl)ethyl]benzamide?
The IUPAC name of 4-amino-3-methoxy-N-[1-(4-methylphenyl)ethyl]benzamide (CID 104782504) is 4-amino-3-methoxy-N-[1-(4-methylphenyl)ethyl]benzamide.
What is the SMILES notation for 4-amino-3-methoxy-N-[1-(4-methylphenyl)ethyl]benzamide?
The canonical SMILES for 4-amino-3-methoxy-N-[1-(4-methylphenyl)ethyl]benzamide is COc1cc(C(=O)NC(C)c2ccc(C)cc2)ccc1N.
What is the InChIKey of 4-amino-3-methoxy-N-[1-(4-methylphenyl)ethyl]benzamide?
The InChIKey is HEHGFEFPENEBMH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N2O2/c1-11-4-6-13(7-5-11)12(2)19-17(20)14-8-9-15(18)16(10-14)21-3/h4-10,12H,18H2,1-3H3,(H,19,20).
What are the key properties of 4-amino-3-methoxy-N-[1-(4-methylphenyl)ethyl]benzamide?
4-amino-3-methoxy-N-[1-(4-methylphenyl)ethyl]benzamide has a molecular weight of 284.36 g/mol, XLogP of 3.08, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-3-methoxy-N-[1-(4-methylphenyl)ethyl]benzamide is sourced from PubChem (CID 104782504), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).