N-benzyl-N'-(2-methoxy-2-phenylbutyl)oxamide

C20H24N2O3 — CID 90599704

IUPACN-benzyl-N'-(2-methoxy-2-phenylbutyl)oxamide
SMILESCCC(CNC(=O)C(=O)NCc1ccccc1)(OC)c1ccccc1
InChIInChI=1S/C20H24N2O3/c1-3-20(25-2,17-12-8-5-9-13-17)15-22-19(24)18(23)21-14-16-10-6-4-7-11-16/h4-13H,3,14-15H2,1-2H3,(H,21,23)(H,22,24)
InChIKeyLJRMZFCNFDTDCB-UHFFFAOYSA-N
MW340.42 g/mol
LogP2.37
Rot. Bonds7

About N-benzyl-N'-(2-methoxy-2-phenylbutyl)oxamide

N-benzyl-N'-(2-methoxy-2-phenylbutyl)oxamide (PubChem CID 90599704) has the molecular formula C20H24N2O3 and a molecular weight of 340.42 g/mol. Its IUPAC name is N-benzyl-N'-(2-methoxy-2-phenylbutyl)oxamide.

Molecular Properties

Compound NameN-benzyl-N'-(2-methoxy-2-phenylbutyl)oxamide
PubChem CID90599704
Molecular FormulaC20H24N2O3
Molecular Weight340.42 g/mol
Exact Mass340.18
IUPAC NameN-benzyl-N'-(2-methoxy-2-phenylbutyl)oxamide
SMILESCCC(CNC(=O)C(=O)NCc1ccccc1)(OC)c1ccccc1
InChIInChI=1S/C20H24N2O3/c1-3-20(25-2,17-12-8-5-9-13-17)15-22-19(24)18(23)21-14-16-10-6-4-7-11-16/h4-13H,3,14-15H2,1-2H3,(H,21,23)(H,22,24)
InChIKeyLJRMZFCNFDTDCB-UHFFFAOYSA-N
XLogP2.37
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.42
LogP ≤ 52.37
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-[(4-fluorophenyl)methyl]-N'-(2-methoxy-2-phenylbutyl)oxamide
CID 90599726
N'-(2-methoxy-2-phenylbutyl)oxamide
CID 90599769
N-(furan-2-ylmethyl)-N'-[(2S)-2-methoxy-2-phenylbutyl]oxamide
CID 124522852
N-(furan-2-ylmethyl)-N'-(2-methoxy-2-phenylbutyl)oxamide
CID 90599701
N-[(2R)-2-methoxy-2-phenylbutyl]-N'-(3-methylphenyl)oxamide
CID 97428674
1-[(3,4-dimethoxyphenyl)methyl]-3-(2-methoxy-2-phenylbutyl)urea
CID 90599815
N-(2-methoxy-2-phenylbutyl)cyclopropanecarboxamide
CID 71810719
2-ethoxy-N-[(2S)-2-methoxy-2-phenylbutyl]acetamide
CID 97428557
N-[(2S)-2-methoxy-2-phenylbutyl]naphthalene-1-carboxamide
CID 97428577
2,6-difluoro-N-(2-methoxy-2-phenylbutyl)benzamide
CID 71810728
N-(2-methoxy-2-phenylbutyl)-4-phenoxybenzamide
CID 90599562
1-(2-methoxy-2-phenylbutyl)-3-(2-methylphenyl)urea
CID 71810787

Frequently Asked Questions

What is the IUPAC name of N-benzyl-N'-(2-methoxy-2-phenylbutyl)oxamide?
The IUPAC name of N-benzyl-N'-(2-methoxy-2-phenylbutyl)oxamide (CID 90599704) is N-benzyl-N'-(2-methoxy-2-phenylbutyl)oxamide.
What is the SMILES notation for N-benzyl-N'-(2-methoxy-2-phenylbutyl)oxamide?
The canonical SMILES for N-benzyl-N'-(2-methoxy-2-phenylbutyl)oxamide is CCC(CNC(=O)C(=O)NCc1ccccc1)(OC)c1ccccc1.
What is the InChIKey of N-benzyl-N'-(2-methoxy-2-phenylbutyl)oxamide?
The InChIKey is LJRMZFCNFDTDCB-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24N2O3/c1-3-20(25-2,17-12-8-5-9-13-17)15-22-19(24)18(23)21-14-16-10-6-4-7-11-16/h4-13H,3,14-15H2,1-2H3,(H,21,23)(H,22,24).
What are the key properties of N-benzyl-N'-(2-methoxy-2-phenylbutyl)oxamide?
N-benzyl-N'-(2-methoxy-2-phenylbutyl)oxamide has a molecular weight of 340.42 g/mol, XLogP of 2.37, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-N'-(2-methoxy-2-phenylbutyl)oxamide is sourced from PubChem (CID 90599704), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).