N-[(2R)-1-amino-1-oxo-2-phenylpropan-2-yl]-2-methoxy-5-methylbenzamide

C18H20N2O3 — CID 97236307

IUPACN-[(2R)-1-amino-1-oxo-2-phenylpropan-2-yl]-2-methoxy-5-methylbenzamide
SMILESCOc1ccc(C)cc1C(=O)N[C@@](C)(C(N)=O)c1ccccc1
InChIInChI=1S/C18H20N2O3/c1-12-9-10-15(23-3)14(11-12)16(21)20-18(2,17(19)22)13-7-5-4-6-8-13/h4-11H,1-3H3,(H2,19,22)(H,20,21)/t18-/m1/s1
InChIKeyKIOQVDIDBNPARK-GOSISDBHSA-N
MW312.37 g/mol
LogP2.13
Rot. Bonds5

About N-[(2R)-1-amino-1-oxo-2-phenylpropan-2-yl]-2-methoxy-5-methylbenzamide

N-[(2R)-1-amino-1-oxo-2-phenylpropan-2-yl]-2-methoxy-5-methylbenzamide (PubChem CID 97236307) has the molecular formula C18H20N2O3 and a molecular weight of 312.37 g/mol. Its IUPAC name is N-[(2R)-1-amino-1-oxo-2-phenylpropan-2-yl]-2-methoxy-5-methylbenzamide.

Molecular Properties

Compound NameN-[(2R)-1-amino-1-oxo-2-phenylpropan-2-yl]-2-methoxy-5-methylbenzamide
PubChem CID97236307
Molecular FormulaC18H20N2O3
Molecular Weight312.37 g/mol
Exact Mass312.15
IUPAC NameN-[(2R)-1-amino-1-oxo-2-phenylpropan-2-yl]-2-methoxy-5-methylbenzamide
SMILESCOc1ccc(C)cc1C(=O)N[C@@](C)(C(N)=O)c1ccccc1
InChIInChI=1S/C18H20N2O3/c1-12-9-10-15(23-3)14(11-12)16(21)20-18(2,17(19)22)13-7-5-4-6-8-13/h4-11H,1-3H3,(H2,19,22)(H,20,21)/t18-/m1/s1
InChIKeyKIOQVDIDBNPARK-GOSISDBHSA-N
XLogP2.13
TPSA81.42 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.37
LogP ≤ 52.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(1-amino-2-methyl-1-sulfanylidenepropan-2-yl)-2-methoxy-5-methylbenzamide
CID 62504212
2-ethyl-2-[(2-methoxy-5-methylbenzoyl)amino]butanoic acid
CID 79806703
2-(2-methoxyanilino)-2-(4-methylphenyl)propanamide
CID 60991724
N-(1-bromo-2-methylbutan-2-yl)-2-methoxy-5-methylbenzamide
CID 113275633
2-(3,4-dimethoxyphenyl)-N-(2-phenylpropan-2-yl)acetamide
CID 113091742
N-(2-iodophenyl)-2-methoxy-5-methylbenzamide
CID 34049921
2-methoxy-N-(2-phenylbutan-2-yl)benzamide
CID 86899366
3-hydroxy-4-[(2-methoxy-5-methylbenzoyl)amino]-3-methylbutanoic acid
CID 66001346
2,6-dimethoxy-N-(2-phenylpropan-2-yl)benzamide
CID 113091730
3-[[2-(2-methoxy-5-methylphenyl)acetyl]amino]-2-methyl-2-phenylpropanoic acid
CID 120701596
N-(2-bromo-5-methylphenyl)-2-methoxy-5-methylbenzamide
CID 82706830
(2R)-2-[(2-methoxy-5-methylbenzoyl)amino]-3-methylbutanoic acid
CID 79010669

Frequently Asked Questions

What is the IUPAC name of N-[(2R)-1-amino-1-oxo-2-phenylpropan-2-yl]-2-methoxy-5-methylbenzamide?
The IUPAC name of N-[(2R)-1-amino-1-oxo-2-phenylpropan-2-yl]-2-methoxy-5-methylbenzamide (CID 97236307) is N-[(2R)-1-amino-1-oxo-2-phenylpropan-2-yl]-2-methoxy-5-methylbenzamide.
What is the SMILES notation for N-[(2R)-1-amino-1-oxo-2-phenylpropan-2-yl]-2-methoxy-5-methylbenzamide?
The canonical SMILES for N-[(2R)-1-amino-1-oxo-2-phenylpropan-2-yl]-2-methoxy-5-methylbenzamide is COc1ccc(C)cc1C(=O)N[C@@](C)(C(N)=O)c1ccccc1.
What is the InChIKey of N-[(2R)-1-amino-1-oxo-2-phenylpropan-2-yl]-2-methoxy-5-methylbenzamide?
The InChIKey is KIOQVDIDBNPARK-GOSISDBHSA-N. The full InChI is InChI=1S/C18H20N2O3/c1-12-9-10-15(23-3)14(11-12)16(21)20-18(2,17(19)22)13-7-5-4-6-8-13/h4-11H,1-3H3,(H2,19,22)(H,20,21)/t18-/m1/s1.
What are the key properties of N-[(2R)-1-amino-1-oxo-2-phenylpropan-2-yl]-2-methoxy-5-methylbenzamide?
N-[(2R)-1-amino-1-oxo-2-phenylpropan-2-yl]-2-methoxy-5-methylbenzamide has a molecular weight of 312.37 g/mol, XLogP of 2.13, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2R)-1-amino-1-oxo-2-phenylpropan-2-yl]-2-methoxy-5-methylbenzamide is sourced from PubChem (CID 97236307), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).