2-methoxy-3,3-dimethyl-N-tritylbutanamide

C26H29NO2 — CID 15309425

IUPAC2-methoxy-3,3-dimethyl-N-tritylbutanamide
SMILESCOC(C(=O)NC(c1ccccc1)(c1ccccc1)c1ccccc1)C(C)(C)C
InChIInChI=1S/C26H29NO2/c1-25(2,3)23(29-4)24(28)27-26(20-14-8-5-9-15-20,21-16-10-6-11-17-21)22-18-12-7-13-19-22/h5-19,23H,1-4H3,(H,27,28)
InChIKeyLGPWJZDIOWSWJP-UHFFFAOYSA-N
MW387.52 g/mol
LogP5.16
Rot. Bonds6

About 2-methoxy-3,3-dimethyl-N-tritylbutanamide

2-methoxy-3,3-dimethyl-N-tritylbutanamide (PubChem CID 15309425) has the molecular formula C26H29NO2 and a molecular weight of 387.52 g/mol. Its IUPAC name is 2-methoxy-3,3-dimethyl-N-tritylbutanamide.

Molecular Properties

Compound Name2-methoxy-3,3-dimethyl-N-tritylbutanamide
PubChem CID15309425
Molecular FormulaC26H29NO2
Molecular Weight387.52 g/mol
Exact Mass387.22
IUPAC Name2-methoxy-3,3-dimethyl-N-tritylbutanamide
SMILESCOC(C(=O)NC(c1ccccc1)(c1ccccc1)c1ccccc1)C(C)(C)C
InChIInChI=1S/C26H29NO2/c1-25(2,3)23(29-4)24(28)27-26(20-14-8-5-9-15-20,21-16-10-6-11-17-21)22-18-12-7-13-19-22/h5-19,23H,1-4H3,(H,27,28)
InChIKeyLGPWJZDIOWSWJP-UHFFFAOYSA-N
XLogP5.16
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500387.52
LogP ≤ 55.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'triphenyl_methyl-silyl', 'substructure': 'N/A'}

Analyze 2-methoxy-3,3-dimethyl-N-tritylbutanamide 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

2-bromo-2-methyl-N-tritylpropanamide
CID 11475304
2-oxo-N-tritylpropanamide
CID 165388069
1-methyl-3-tritylurea
CID 167052887
methyl 2-(tritylamino)acetate
CID 637611
2-[(2-amino-3,3-dimethylbutanoyl)amino]-2-phenylpropanoic acid
CID 76944505
methyl (E)-4-phenylmethoxy-2-(tritylcarbamoyl)but-3-enoate
CID 46932770
methyl (2R)-2-[(R)-methoxy(phenyl)methyl]-3,3-dimethylbutanoate
CID 10658335
(2S)-2-hydroxy-3-methyl-N-(2-phenylpropan-2-yl)butanamide
CID 131853955
methyl (2S)-2-[(R)-methoxy(phenyl)methyl]-3,3-dimethylbutanoate
CID 10538647
2-methyl-2-(tritylamino)propanoic acid
CID 71215938
methyl 3-amino-2-hydroxy-3-phenylbutanoate
CID 74334118
(2S)-3-oxo-2-(tritylamino)butanoic acid
CID 67931409

Frequently Asked Questions

What is the IUPAC name of 2-methoxy-3,3-dimethyl-N-tritylbutanamide?
The IUPAC name of 2-methoxy-3,3-dimethyl-N-tritylbutanamide (CID 15309425) is 2-methoxy-3,3-dimethyl-N-tritylbutanamide.
What is the SMILES notation for 2-methoxy-3,3-dimethyl-N-tritylbutanamide?
The canonical SMILES for 2-methoxy-3,3-dimethyl-N-tritylbutanamide is COC(C(=O)NC(c1ccccc1)(c1ccccc1)c1ccccc1)C(C)(C)C.
What is the InChIKey of 2-methoxy-3,3-dimethyl-N-tritylbutanamide?
The InChIKey is LGPWJZDIOWSWJP-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H29NO2/c1-25(2,3)23(29-4)24(28)27-26(20-14-8-5-9-15-20,21-16-10-6-11-17-21)22-18-12-7-13-19-22/h5-19,23H,1-4H3,(H,27,28).
What are the key properties of 2-methoxy-3,3-dimethyl-N-tritylbutanamide?
2-methoxy-3,3-dimethyl-N-tritylbutanamide has a molecular weight of 387.52 g/mol, XLogP of 5.16, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-3,3-dimethyl-N-tritylbutanamide is sourced from PubChem (CID 15309425), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).