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

C16H18N2O2 — CID 60927518

IUPAC4-amino-N-[1-(3-methoxyphenyl)ethyl]benzamide
SMILESCOc1cccc(C(C)NC(=O)c2ccc(N)cc2)c1
InChIInChI=1S/C16H18N2O2/c1-11(13-4-3-5-15(10-13)20-2)18-16(19)12-6-8-14(17)9-7-12/h3-11H,17H2,1-2H3,(H,18,19)
InChIKeyXUSOIAHAAUFVMR-UHFFFAOYSA-N
MW270.33 g/mol
LogP2.77
Rot. Bonds4

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

4-amino-N-[1-(3-methoxyphenyl)ethyl]benzamide (PubChem CID 60927518) has the molecular formula C16H18N2O2 and a molecular weight of 270.33 g/mol. Its IUPAC name is 4-amino-N-[1-(3-methoxyphenyl)ethyl]benzamide.

Molecular Properties

Compound Name4-amino-N-[1-(3-methoxyphenyl)ethyl]benzamide
PubChem CID60927518
Molecular FormulaC16H18N2O2
Molecular Weight270.33 g/mol
Exact Mass270.14
IUPAC Name4-amino-N-[1-(3-methoxyphenyl)ethyl]benzamide
SMILESCOc1cccc(C(C)NC(=O)c2ccc(N)cc2)c1
InChIInChI=1S/C16H18N2O2/c1-11(13-4-3-5-15(10-13)20-2)18-16(19)12-6-8-14(17)9-7-12/h3-11H,17H2,1-2H3,(H,18,19)
InChIKeyXUSOIAHAAUFVMR-UHFFFAOYSA-N
XLogP2.77
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.33
LogP ≤ 52.77
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

4-amino-N-[(1R)-1-(3-methoxyphenyl)ethyl]benzamide
CID 81373217
4-amino-N-[(1S)-1-(4-methoxyphenyl)ethyl]benzamide
CID 81364308
4-(2,6-dimethyl-4-pyridinyl)-N-[(1R)-1-(3-methoxyphenyl)ethyl]benzamide
CID 68511029
N-[1-(3-aminophenyl)ethyl]-4-propan-2-ylbenzamide
CID 43297646
2-amino-N-[(1R)-1-(3-methoxyphenyl)ethyl]propanamide
CID 81372926
2-amino-N-[(1S)-1-(3-methoxyphenyl)ethyl]-5-methylbenzamide
CID 81355155
3-amino-N-[1-(3-propan-2-yloxyphenyl)ethyl]benzamide;hydrochloride
CID 119721111
N-[1-(3-methoxyphenyl)ethyl]quinoline-6-carboxamide
CID 69276532
N'-(4-aminobenzoyl)-3-methoxybenzohydrazide
CID 684303
N-[1-(3-aminophenyl)ethyl]benzamide
CID 43297605
5-bromo-N-[1-(3-methoxyphenyl)ethyl]thiophene-2-carboxamide
CID 17329824
4-methoxy-N-[(1R)-1-naphthalen-2-ylethyl]benzamide
CID 977744

Frequently Asked Questions

What is the IUPAC name of 4-amino-N-[1-(3-methoxyphenyl)ethyl]benzamide?
The IUPAC name of 4-amino-N-[1-(3-methoxyphenyl)ethyl]benzamide (CID 60927518) is 4-amino-N-[1-(3-methoxyphenyl)ethyl]benzamide.
What is the SMILES notation for 4-amino-N-[1-(3-methoxyphenyl)ethyl]benzamide?
The canonical SMILES for 4-amino-N-[1-(3-methoxyphenyl)ethyl]benzamide is COc1cccc(C(C)NC(=O)c2ccc(N)cc2)c1.
What is the InChIKey of 4-amino-N-[1-(3-methoxyphenyl)ethyl]benzamide?
The InChIKey is XUSOIAHAAUFVMR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N2O2/c1-11(13-4-3-5-15(10-13)20-2)18-16(19)12-6-8-14(17)9-7-12/h3-11H,17H2,1-2H3,(H,18,19).
What are the key properties of 4-amino-N-[1-(3-methoxyphenyl)ethyl]benzamide?
4-amino-N-[1-(3-methoxyphenyl)ethyl]benzamide has a molecular weight of 270.33 g/mol, XLogP of 2.77, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-N-[1-(3-methoxyphenyl)ethyl]benzamide is sourced from PubChem (CID 60927518), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).