N-[dideuterio-(3-methylphenyl)methyl]-4-oxo-2-(trideuteriomethoxymethyl)pentanamide

C15H21NO3 — CID 58463456

IUPACN-[dideuterio-(3-methylphenyl)methyl]-4-oxo-2-(trideuteriomethoxymethyl)pentanamide
SMILES[2H]C([2H])([2H])OCC(CC(C)=O)C(=O)NC([2H])([2H])c1cccc(C)c1
InChIInChI=1S/C15H21NO3/c1-11-5-4-6-13(7-11)9-16-15(18)14(10-19-3)8-12(2)17/h4-7,14H,8-10H2,1-3H3,(H,16,18)/i3D3,9D2
InChIKeyRVXBAOWMTDQCIC-IIVFXWFJSA-N
MW268.37 g/mol
LogP1.85
Rot. Bonds8

About N-[dideuterio-(3-methylphenyl)methyl]-4-oxo-2-(trideuteriomethoxymethyl)pentanamide

N-[dideuterio-(3-methylphenyl)methyl]-4-oxo-2-(trideuteriomethoxymethyl)pentanamide (PubChem CID 58463456) has the molecular formula C15H21NO3 and a molecular weight of 268.37 g/mol. Its IUPAC name is N-[dideuterio-(3-methylphenyl)methyl]-4-oxo-2-(trideuteriomethoxymethyl)pentanamide.

Molecular Properties

Compound NameN-[dideuterio-(3-methylphenyl)methyl]-4-oxo-2-(trideuteriomethoxymethyl)pentanamide
PubChem CID58463456
Molecular FormulaC15H21NO3
Molecular Weight268.37 g/mol
Exact Mass268.18
IUPAC NameN-[dideuterio-(3-methylphenyl)methyl]-4-oxo-2-(trideuteriomethoxymethyl)pentanamide
SMILES[2H]C([2H])([2H])OCC(CC(C)=O)C(=O)NC([2H])([2H])c1cccc(C)c1
InChIInChI=1S/C15H21NO3/c1-11-5-4-6-13(7-11)9-16-15(18)14(10-19-3)8-12(2)17/h4-7,14H,8-10H2,1-3H3,(H,16,18)/i3D3,9D2
InChIKeyRVXBAOWMTDQCIC-IIVFXWFJSA-N
XLogP1.85
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.37
LogP ≤ 51.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze N-[dideuterio-(3-methylphenyl)methyl]-4-oxo-2-(trideuteriomethoxymethyl)pentanamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[2-[acetyl-[(3-methylphenyl)methyl]amino]ethyl]-2-ethylbutanamide
CID 113054219
ethane;2-methyl-N-[(3-methylphenyl)methyl]propanamide
CID 169133923
3-methoxy-N-[(3-methylphenyl)methyl]propanamide
CID 71248457
2-bromo-3-methyl-N-[(3-methylphenyl)methyl]butanamide
CID 60913283
3-fluoro-4-methoxy-N-[(3-methylphenyl)methyl]benzamide
CID 38293920
2-bromo-N-[(3-methylphenyl)methyl]acetamide
CID 63679307
1-(2-methoxyethoxymethyl)-3-[(3-methylphenyl)methyl]urea
CID 108894571
methyl 4-[dideuterio-[[6-[[dideuterio-(3-methylphenyl)methyl]carbamoyl]pyrimidine-4-carbonyl]amino]methyl]benzoate
CID 118410967
(3-methylphenyl)methylurea
CID 60776531
1-N-(3-methoxypropyl)-3-N-[(3-methylphenyl)methyl]benzene-1,3-dicarboxamide
CID 109052676
1-[(3-methylphenyl)methyl]-3-(3-oxobutyl)urea
CID 108895266
4-(hydroxymethyl)-N-[(3-methylphenyl)methyl]benzamide
CID 134067704

Frequently Asked Questions

What is the IUPAC name of N-[dideuterio-(3-methylphenyl)methyl]-4-oxo-2-(trideuteriomethoxymethyl)pentanamide?
The IUPAC name of N-[dideuterio-(3-methylphenyl)methyl]-4-oxo-2-(trideuteriomethoxymethyl)pentanamide (CID 58463456) is N-[dideuterio-(3-methylphenyl)methyl]-4-oxo-2-(trideuteriomethoxymethyl)pentanamide.
What is the SMILES notation for N-[dideuterio-(3-methylphenyl)methyl]-4-oxo-2-(trideuteriomethoxymethyl)pentanamide?
The canonical SMILES for N-[dideuterio-(3-methylphenyl)methyl]-4-oxo-2-(trideuteriomethoxymethyl)pentanamide is [2H]C([2H])([2H])OCC(CC(C)=O)C(=O)NC([2H])([2H])c1cccc(C)c1.
What is the InChIKey of N-[dideuterio-(3-methylphenyl)methyl]-4-oxo-2-(trideuteriomethoxymethyl)pentanamide?
The InChIKey is RVXBAOWMTDQCIC-IIVFXWFJSA-N. The full InChI is InChI=1S/C15H21NO3/c1-11-5-4-6-13(7-11)9-16-15(18)14(10-19-3)8-12(2)17/h4-7,14H,8-10H2,1-3H3,(H,16,18)/i3D3,9D2.
What are the key properties of N-[dideuterio-(3-methylphenyl)methyl]-4-oxo-2-(trideuteriomethoxymethyl)pentanamide?
N-[dideuterio-(3-methylphenyl)methyl]-4-oxo-2-(trideuteriomethoxymethyl)pentanamide has a molecular weight of 268.37 g/mol, XLogP of 1.85, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[dideuterio-(3-methylphenyl)methyl]-4-oxo-2-(trideuteriomethoxymethyl)pentanamide is sourced from PubChem (CID 58463456), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).