3-amino-2-methoxy-N-[(1R)-1-phenylethyl]benzamide

C16H18N2O2 — CID 107863863

IUPAC3-amino-2-methoxy-N-[(1R)-1-phenylethyl]benzamide
SMILESCOc1c(N)cccc1C(=O)N[C@H](C)c1ccccc1
InChIInChI=1S/C16H18N2O2/c1-11(12-7-4-3-5-8-12)18-16(19)13-9-6-10-14(17)15(13)20-2/h3-11H,17H2,1-2H3,(H,18,19)/t11-/m1/s1
InChIKeyOUMMJDLFDJCTNN-LLVKDONJSA-N
MW270.33 g/mol
LogP2.77
Rot. Bonds4

About 3-amino-2-methoxy-N-[(1R)-1-phenylethyl]benzamide

3-amino-2-methoxy-N-[(1R)-1-phenylethyl]benzamide (PubChem CID 107863863) has the molecular formula C16H18N2O2 and a molecular weight of 270.33 g/mol. Its IUPAC name is 3-amino-2-methoxy-N-[(1R)-1-phenylethyl]benzamide.

Molecular Properties

Compound Name3-amino-2-methoxy-N-[(1R)-1-phenylethyl]benzamide
PubChem CID107863863
Molecular FormulaC16H18N2O2
Molecular Weight270.33 g/mol
Exact Mass270.14
IUPAC Name3-amino-2-methoxy-N-[(1R)-1-phenylethyl]benzamide
SMILESCOc1c(N)cccc1C(=O)N[C@H](C)c1ccccc1
InChIInChI=1S/C16H18N2O2/c1-11(12-7-4-3-5-8-12)18-16(19)13-9-6-10-14(17)15(13)20-2/h3-11H,17H2,1-2H3,(H,18,19)/t11-/m1/s1
InChIKeyOUMMJDLFDJCTNN-LLVKDONJSA-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

3-amino-2-methoxy-N-[(1S)-1-phenylethyl]benzamide
CID 107863919
2-[2,6-bis(1-phenylethylcarbamoyl)phenyl]-1-N,3-N-bis(1-phenylethyl)benzene-1,3-dicarboxamide
CID 570721
2-(difluoromethoxy)-3-methoxy-N-(1-phenylethyl)benzamide
CID 51147641
3-amino-2-methoxy-N-[1-(5-methyl-1,3-oxazol-2-yl)ethyl]benzamide
CID 106387458
2-hydrazinyl-N-(1-phenylethyl)benzamide
CID 62248479
2-hydroxy-3-methoxy-N-(1-phenylethyl)benzamide
CID 43176488
2-amino-3-methyl-N-[(1R)-1-phenylethyl]benzamide
CID 30117627
2-N-(1-phenylethyl)benzene-1,2-dicarboxamide
CID 22396198
2-amino-3-chloro-N-(1-phenylethyl)benzamide
CID 82546896
3-amino-2-methoxybenzoic acid
CID 19849158
2-amino-N-[1-(3-hydroxyphenyl)ethyl]benzamide
CID 61213095
3-amino-N-[(2S)-2-hydroxypropyl]-2-methoxybenzamide
CID 107211143

Frequently Asked Questions

What is the IUPAC name of 3-amino-2-methoxy-N-[(1R)-1-phenylethyl]benzamide?
The IUPAC name of 3-amino-2-methoxy-N-[(1R)-1-phenylethyl]benzamide (CID 107863863) is 3-amino-2-methoxy-N-[(1R)-1-phenylethyl]benzamide.
What is the SMILES notation for 3-amino-2-methoxy-N-[(1R)-1-phenylethyl]benzamide?
The canonical SMILES for 3-amino-2-methoxy-N-[(1R)-1-phenylethyl]benzamide is COc1c(N)cccc1C(=O)N[C@H](C)c1ccccc1.
What is the InChIKey of 3-amino-2-methoxy-N-[(1R)-1-phenylethyl]benzamide?
The InChIKey is OUMMJDLFDJCTNN-LLVKDONJSA-N. The full InChI is InChI=1S/C16H18N2O2/c1-11(12-7-4-3-5-8-12)18-16(19)13-9-6-10-14(17)15(13)20-2/h3-11H,17H2,1-2H3,(H,18,19)/t11-/m1/s1.
What are the key properties of 3-amino-2-methoxy-N-[(1R)-1-phenylethyl]benzamide?
3-amino-2-methoxy-N-[(1R)-1-phenylethyl]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 3-amino-2-methoxy-N-[(1R)-1-phenylethyl]benzamide is sourced from PubChem (CID 107863863), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).