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

C16H18N2O2 — CID 81364308

IUPAC4-amino-N-[(1S)-1-(4-methoxyphenyl)ethyl]benzamide
SMILESCOc1ccc([C@H](C)NC(=O)c2ccc(N)cc2)cc1
InChIInChI=1S/C16H18N2O2/c1-11(12-5-9-15(20-2)10-6-12)18-16(19)13-3-7-14(17)8-4-13/h3-11H,17H2,1-2H3,(H,18,19)/t11-/m0/s1
InChIKeyQPALUMJHOFTYOI-NSHDSACASA-N
MW270.33 g/mol
LogP2.77
Rot. Bonds4

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

4-amino-N-[(1S)-1-(4-methoxyphenyl)ethyl]benzamide (PubChem CID 81364308) has the molecular formula C16H18N2O2 and a molecular weight of 270.33 g/mol. Its IUPAC name is 4-amino-N-[(1S)-1-(4-methoxyphenyl)ethyl]benzamide.

Molecular Properties

Compound Name4-amino-N-[(1S)-1-(4-methoxyphenyl)ethyl]benzamide
PubChem CID81364308
Molecular FormulaC16H18N2O2
Molecular Weight270.33 g/mol
Exact Mass270.14
IUPAC Name4-amino-N-[(1S)-1-(4-methoxyphenyl)ethyl]benzamide
SMILESCOc1ccc([C@H](C)NC(=O)c2ccc(N)cc2)cc1
InChIInChI=1S/C16H18N2O2/c1-11(12-5-9-15(20-2)10-6-12)18-16(19)13-3-7-14(17)8-4-13/h3-11H,17H2,1-2H3,(H,18,19)/t11-/m0/s1
InChIKeyQPALUMJHOFTYOI-NSHDSACASA-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

1-N,4-N-bis[(1S)-1-(4-methoxyphenyl)ethyl]benzene-1,4-dicarboxamide
CID 2211003
N-hydroxy-4-[(1R)-1-[(4-methoxybenzoyl)amino]ethyl]benzamide
CID 58417539
N-[1-(4-fluorophenyl)ethyl]-4-methoxybenzamide
CID 17406706
4-amino-N-[1-(3-methoxyphenyl)ethyl]benzamide
CID 60927518
4-amino-N-[(1R)-1-(3-methoxyphenyl)ethyl]benzamide
CID 81373217
N-[(1S)-1-(4-methoxyphenyl)ethyl]-4-phenylbenzamide
CID 977346
N-[(1S)-1-(4-ethoxyphenyl)ethyl]-4-methoxybenzamide
CID 880654
4-methoxy-N-[(1R)-1-(4-methylsulfanylphenyl)ethyl]benzamide
CID 28558127
N-[(1S)-1-(4-aminophenyl)ethyl]benzamide
CID 35525579
4-amino-3-chloro-N-[(1S)-1-(4-methoxyphenyl)ethyl]benzamide
CID 81368815
4-amino-3-chloro-N-[1-(4-methoxyphenyl)ethyl]benzamide
CID 66196616
3,4-dimethoxy-N-[(1S)-1-(4-methoxyphenyl)ethyl]benzamide
CID 831207

Frequently Asked Questions

What is the IUPAC name of 4-amino-N-[(1S)-1-(4-methoxyphenyl)ethyl]benzamide?
The IUPAC name of 4-amino-N-[(1S)-1-(4-methoxyphenyl)ethyl]benzamide (CID 81364308) is 4-amino-N-[(1S)-1-(4-methoxyphenyl)ethyl]benzamide.
What is the SMILES notation for 4-amino-N-[(1S)-1-(4-methoxyphenyl)ethyl]benzamide?
The canonical SMILES for 4-amino-N-[(1S)-1-(4-methoxyphenyl)ethyl]benzamide is COc1ccc([C@H](C)NC(=O)c2ccc(N)cc2)cc1.
What is the InChIKey of 4-amino-N-[(1S)-1-(4-methoxyphenyl)ethyl]benzamide?
The InChIKey is QPALUMJHOFTYOI-NSHDSACASA-N. The full InChI is InChI=1S/C16H18N2O2/c1-11(12-5-9-15(20-2)10-6-12)18-16(19)13-3-7-14(17)8-4-13/h3-11H,17H2,1-2H3,(H,18,19)/t11-/m0/s1.
What are the key properties of 4-amino-N-[(1S)-1-(4-methoxyphenyl)ethyl]benzamide?
4-amino-N-[(1S)-1-(4-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-[(1S)-1-(4-methoxyphenyl)ethyl]benzamide is sourced from PubChem (CID 81364308), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).