N-[(2R)-2-methoxy-2-phenylbutyl]-N'-(3-methylphenyl)oxamide

C20H24N2O3 — CID 97428674

IUPACN-[(2R)-2-methoxy-2-phenylbutyl]-N'-(3-methylphenyl)oxamide
SMILESCC[C@@](CNC(=O)C(=O)Nc1cccc(C)c1)(OC)c1ccccc1
InChIInChI=1S/C20H24N2O3/c1-4-20(25-3,16-10-6-5-7-11-16)14-21-18(23)19(24)22-17-12-8-9-15(2)13-17/h5-13H,4,14H2,1-3H3,(H,21,23)(H,22,24)/t20-/m0/s1
InChIKeyJWHJUIIAOIFBHD-FQEVSTJZSA-N
MW340.42 g/mol
LogP3.00
Rot. Bonds6

About N-[(2R)-2-methoxy-2-phenylbutyl]-N'-(3-methylphenyl)oxamide

N-[(2R)-2-methoxy-2-phenylbutyl]-N'-(3-methylphenyl)oxamide (PubChem CID 97428674) has the molecular formula C20H24N2O3 and a molecular weight of 340.42 g/mol. Its IUPAC name is N-[(2R)-2-methoxy-2-phenylbutyl]-N'-(3-methylphenyl)oxamide.

Molecular Properties

Compound NameN-[(2R)-2-methoxy-2-phenylbutyl]-N'-(3-methylphenyl)oxamide
PubChem CID97428674
Molecular FormulaC20H24N2O3
Molecular Weight340.42 g/mol
Exact Mass340.18
IUPAC NameN-[(2R)-2-methoxy-2-phenylbutyl]-N'-(3-methylphenyl)oxamide
SMILESCC[C@@](CNC(=O)C(=O)Nc1cccc(C)c1)(OC)c1ccccc1
InChIInChI=1S/C20H24N2O3/c1-4-20(25-3,16-10-6-5-7-11-16)14-21-18(23)19(24)22-17-12-8-9-15(2)13-17/h5-13H,4,14H2,1-3H3,(H,21,23)(H,22,24)/t20-/m0/s1
InChIKeyJWHJUIIAOIFBHD-FQEVSTJZSA-N
XLogP3.00
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.42
LogP ≤ 53.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'diketo_group', 'substructure': 'N/A'}

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Related Compounds

N-(2-hydroxy-2-phenylpropyl)-N'-(3-methylphenyl)oxamide
CID 121112034
N-benzyl-N'-(2-methoxy-2-phenylbutyl)oxamide
CID 90599704
N'-(2-methoxy-2-phenylbutyl)oxamide
CID 90599769
N-[2-(2-fluorophenyl)-2-methoxypropyl]-N'-(3-methylphenyl)oxamide
CID 90599322
N-(2-methoxy-2-phenylbutyl)-N'-(1-methylsulfonyl-3,4-dihydro-2H-quinolin-7-yl)oxamide
CID 90599777
N-[(4-fluorophenyl)methyl]-N'-(2-methoxy-2-phenylbutyl)oxamide
CID 90599726
1-(2-methoxy-2-phenylbutyl)-3-(2-methylphenyl)urea
CID 71810787
N-(furan-2-ylmethyl)-N'-(2-methoxy-2-phenylbutyl)oxamide
CID 90599701
1-(2,6-difluorophenyl)-3-(2-methoxy-2-phenylbutyl)urea
CID 90599796
2,6-difluoro-N-(2-methoxy-2-phenylbutyl)benzamide
CID 71810728
2-ethoxy-N-[(2S)-2-methoxy-2-phenylbutyl]acetamide
CID 97428557
N-[(2S)-2-methoxy-2-phenylbutyl]naphthalene-1-carboxamide
CID 97428577

Frequently Asked Questions

What is the IUPAC name of N-[(2R)-2-methoxy-2-phenylbutyl]-N'-(3-methylphenyl)oxamide?
The IUPAC name of N-[(2R)-2-methoxy-2-phenylbutyl]-N'-(3-methylphenyl)oxamide (CID 97428674) is N-[(2R)-2-methoxy-2-phenylbutyl]-N'-(3-methylphenyl)oxamide.
What is the SMILES notation for N-[(2R)-2-methoxy-2-phenylbutyl]-N'-(3-methylphenyl)oxamide?
The canonical SMILES for N-[(2R)-2-methoxy-2-phenylbutyl]-N'-(3-methylphenyl)oxamide is CC[C@@](CNC(=O)C(=O)Nc1cccc(C)c1)(OC)c1ccccc1.
What is the InChIKey of N-[(2R)-2-methoxy-2-phenylbutyl]-N'-(3-methylphenyl)oxamide?
The InChIKey is JWHJUIIAOIFBHD-FQEVSTJZSA-N. The full InChI is InChI=1S/C20H24N2O3/c1-4-20(25-3,16-10-6-5-7-11-16)14-21-18(23)19(24)22-17-12-8-9-15(2)13-17/h5-13H,4,14H2,1-3H3,(H,21,23)(H,22,24)/t20-/m0/s1.
What are the key properties of N-[(2R)-2-methoxy-2-phenylbutyl]-N'-(3-methylphenyl)oxamide?
N-[(2R)-2-methoxy-2-phenylbutyl]-N'-(3-methylphenyl)oxamide has a molecular weight of 340.42 g/mol, XLogP of 3.00, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2R)-2-methoxy-2-phenylbutyl]-N'-(3-methylphenyl)oxamide is sourced from PubChem (CID 97428674), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).