3,5-ditert-butyl-4-methoxy-N-[(1S)-2-(methylamino)-2-oxo-1-phenylethyl]benzamide

C25H34N2O3 — CID 25118291

IUPAC3,5-ditert-butyl-4-methoxy-N-[(1S)-2-(methylamino)-2-oxo-1-phenylethyl]benzamide
SMILESCNC(=O)[C@@H](NC(=O)c1cc(C(C)(C)C)c(OC)c(C(C)(C)C)c1)c1ccccc1
InChIInChI=1S/C25H34N2O3/c1-24(2,3)18-14-17(15-19(21(18)30-8)25(4,5)6)22(28)27-20(23(29)26-7)16-12-10-9-11-13-16/h9-15,20H,1-8H3,(H,26,29)(H,27,28)/t20-/m0/s1
InChIKeyACECOWHYSQPNEA-FQEVSTJZSA-N
MW410.56 g/mol
LogP4.51
Rot. Bonds5

About 3,5-ditert-butyl-4-methoxy-N-[(1S)-2-(methylamino)-2-oxo-1-phenylethyl]benzamide

3,5-ditert-butyl-4-methoxy-N-[(1S)-2-(methylamino)-2-oxo-1-phenylethyl]benzamide (PubChem CID 25118291) has the molecular formula C25H34N2O3 and a molecular weight of 410.56 g/mol. Its IUPAC name is 3,5-ditert-butyl-4-methoxy-N-[(1S)-2-(methylamino)-2-oxo-1-phenylethyl]benzamide.

Molecular Properties

Compound Name3,5-ditert-butyl-4-methoxy-N-[(1S)-2-(methylamino)-2-oxo-1-phenylethyl]benzamide
PubChem CID25118291
Molecular FormulaC25H34N2O3
Molecular Weight410.56 g/mol
Exact Mass410.26
IUPAC Name3,5-ditert-butyl-4-methoxy-N-[(1S)-2-(methylamino)-2-oxo-1-phenylethyl]benzamide
SMILESCNC(=O)[C@@H](NC(=O)c1cc(C(C)(C)C)c(OC)c(C(C)(C)C)c1)c1ccccc1
InChIInChI=1S/C25H34N2O3/c1-24(2,3)18-14-17(15-19(21(18)30-8)25(4,5)6)22(28)27-20(23(29)26-7)16-12-10-9-11-13-16/h9-15,20H,1-8H3,(H,26,29)(H,27,28)/t20-/m0/s1
InChIKeyACECOWHYSQPNEA-FQEVSTJZSA-N
XLogP4.51
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500410.56
LogP ≤ 54.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 3,5-ditert-butyl-4-methoxy-N-[(1S)-2-(methylamino)-2-oxo-1-phenylethyl]benzamide 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

3,5-ditert-butyl-4-methoxy-N-phenylbenzamide
CID 86191390
3-bromo-N-[(1S)-2-(methylamino)-2-oxo-1-phenylethyl]benzamide
CID 94157840
4-tert-butyl-N-[2-[[(1S)-2-(methylamino)-2-oxo-1-phenylethyl]amino]-2-oxoethyl]benzamide
CID 51966010
2,3-difluoro-6-methoxy-N-[2-(methylamino)-2-oxo-1-phenylethyl]benzamide
CID 91774325
1-(3,5-ditert-butyl-4-methoxyphenyl)-3-phenylprop-2-en-1-one
CID 69494372
(2R)-2-[(4-methoxybenzoyl)amino]-2-phenylacetate
CID 6948068
N-(2-amino-2-oxo-1-phenylethyl)-4-methoxybenzamide
CID 51315270
N-methyl-2-(methylamino)-2-phenylacetamide
CID 3738076
N-[(1R)-1-(3,4-difluorophenyl)-2-(methylamino)-2-oxoethyl]benzamide
CID 95402613
N-[2-(methylamino)-2-oxo-1-phenylethyl]-4-pyrrolidin-1-ylbenzamide
CID 91782479
3-methylbutyl (2S)-2-phenyl-2-[(3,4,5-trimethoxybenzoyl)amino]acetate
CID 40551436
4-acetyl-1-methyl-N-[(1R)-2-(methylamino)-2-oxo-1-phenylethyl]pyrrole-2-carboxamide
CID 94618189

Frequently Asked Questions

What is the IUPAC name of 3,5-ditert-butyl-4-methoxy-N-[(1S)-2-(methylamino)-2-oxo-1-phenylethyl]benzamide?
The IUPAC name of 3,5-ditert-butyl-4-methoxy-N-[(1S)-2-(methylamino)-2-oxo-1-phenylethyl]benzamide (CID 25118291) is 3,5-ditert-butyl-4-methoxy-N-[(1S)-2-(methylamino)-2-oxo-1-phenylethyl]benzamide.
What is the SMILES notation for 3,5-ditert-butyl-4-methoxy-N-[(1S)-2-(methylamino)-2-oxo-1-phenylethyl]benzamide?
The canonical SMILES for 3,5-ditert-butyl-4-methoxy-N-[(1S)-2-(methylamino)-2-oxo-1-phenylethyl]benzamide is CNC(=O)[C@@H](NC(=O)c1cc(C(C)(C)C)c(OC)c(C(C)(C)C)c1)c1ccccc1.
What is the InChIKey of 3,5-ditert-butyl-4-methoxy-N-[(1S)-2-(methylamino)-2-oxo-1-phenylethyl]benzamide?
The InChIKey is ACECOWHYSQPNEA-FQEVSTJZSA-N. The full InChI is InChI=1S/C25H34N2O3/c1-24(2,3)18-14-17(15-19(21(18)30-8)25(4,5)6)22(28)27-20(23(29)26-7)16-12-10-9-11-13-16/h9-15,20H,1-8H3,(H,26,29)(H,27,28)/t20-/m0/s1.
What are the key properties of 3,5-ditert-butyl-4-methoxy-N-[(1S)-2-(methylamino)-2-oxo-1-phenylethyl]benzamide?
3,5-ditert-butyl-4-methoxy-N-[(1S)-2-(methylamino)-2-oxo-1-phenylethyl]benzamide has a molecular weight of 410.56 g/mol, XLogP of 4.51, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-ditert-butyl-4-methoxy-N-[(1S)-2-(methylamino)-2-oxo-1-phenylethyl]benzamide is sourced from PubChem (CID 25118291), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).