2-[[2-[[(2R)-butan-2-yl]-[(2S)-butan-2-yl]amino]-2-oxoethyl]-methylamino]-N-(3-methoxyphenyl)acetamide

C20H33N3O3 — CID 8556475

IUPAC2-[[2-[[(2R)-butan-2-yl]-[(2S)-butan-2-yl]amino]-2-oxoethyl]-methylamino]-N-(3-methoxyphenyl)acetamide
SMILESCC[C@@H](C)N(C(=O)CN(C)CC(=O)Nc1cccc(OC)c1)[C@@H](C)CC
InChIInChI=1S/C20H33N3O3/c1-7-15(3)23(16(4)8-2)20(25)14-22(5)13-19(24)21-17-10-9-11-18(12-17)26-6/h9-12,15-16H,7-8,13-14H2,1-6H3,(H,21,24)/t15-,16+
InChIKeyBDHMAJXAZOPKOT-IYBDPMFKSA-N
MW363.50 g/mol
LogP2.99
Rot. Bonds10

About 2-[[2-[[(2R)-butan-2-yl]-[(2S)-butan-2-yl]amino]-2-oxoethyl]-methylamino]-N-(3-methoxyphenyl)acetamide

2-[[2-[[(2R)-butan-2-yl]-[(2S)-butan-2-yl]amino]-2-oxoethyl]-methylamino]-N-(3-methoxyphenyl)acetamide (PubChem CID 8556475) has the molecular formula C20H33N3O3 and a molecular weight of 363.50 g/mol. Its IUPAC name is 2-[[2-[[(2R)-butan-2-yl]-[(2S)-butan-2-yl]amino]-2-oxoethyl]-methylamino]-N-(3-methoxyphenyl)acetamide.

Molecular Properties

Compound Name2-[[2-[[(2R)-butan-2-yl]-[(2S)-butan-2-yl]amino]-2-oxoethyl]-methylamino]-N-(3-methoxyphenyl)acetamide
PubChem CID8556475
Molecular FormulaC20H33N3O3
Molecular Weight363.50 g/mol
Exact Mass363.25
IUPAC Name2-[[2-[[(2R)-butan-2-yl]-[(2S)-butan-2-yl]amino]-2-oxoethyl]-methylamino]-N-(3-methoxyphenyl)acetamide
SMILESCC[C@@H](C)N(C(=O)CN(C)CC(=O)Nc1cccc(OC)c1)[C@@H](C)CC
InChIInChI=1S/C20H33N3O3/c1-7-15(3)23(16(4)8-2)20(25)14-22(5)13-19(24)21-17-10-9-11-18(12-17)26-6/h9-12,15-16H,7-8,13-14H2,1-6H3,(H,21,24)/t15-,16+
InChIKeyBDHMAJXAZOPKOT-IYBDPMFKSA-N
XLogP2.99
TPSA61.88 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.50
LogP ≤ 52.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 2-[[2-[[(2R)-butan-2-yl]-[(2S)-butan-2-yl]amino]-2-oxoethyl]-methylamino]-N-(3-methoxyphenyl)acetamide 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-[[2-[[2-(3-methoxyanilino)-2-oxoethyl]-methylamino]-2-oxoethyl]-methylamino]-N-propan-2-ylacetamide
CID 8914073
N-(3-methoxyphenyl)-2-[methyl-[2-[methyl-[(1S)-1-phenylethyl]amino]-2-oxoethyl]amino]acetamide
CID 8555813
2-[[2-[[2-(dimethylamino)-2-oxoethyl]-methylamino]-2-oxoethyl]-methylamino]-N-(3-methoxyphenyl)acetamide
CID 8555605
2-[[2-[benzyl(propan-2-yl)amino]-2-oxoethyl]-methylamino]-N-(3-methoxyphenyl)acetamide
CID 8555084
(2S)-N-ethyl-2-[[2-[[2-(3-methoxyanilino)-2-oxoethyl]-methylamino]acetyl]amino]propanamide
CID 8594468
2-[[2-(3,4-dimethylanilino)-2-oxoethyl]-methylamino]-N-(3-methoxyphenyl)acetamide
CID 9198587
2-[(2-amino-3-methoxypropyl)-methylamino]-N-(3-methoxyphenyl)acetamide
CID 63761521
N-cycloheptyl-2-[[2-(3-methoxyanilino)-2-oxoethyl]-methylamino]acetamide
CID 26624583
2-[[2-(3-methoxyanilino)-2-oxoethyl]-methylamino]-N-[(4-methylphenyl)methyl]acetamide
CID 27242216
3-[[2-(3-methoxyanilino)-2-oxoethyl]-methylamino]-N-phenylpropanamide
CID 38300605
3-[acetyl(butan-2-yl)amino]-N-(3-methoxyphenyl)propanamide
CID 113116238
2-[[2-(3-bromo-4-methylanilino)-2-oxoethyl]-methylamino]-N-(3-methoxyphenyl)acetamide
CID 9198492

Frequently Asked Questions

What is the IUPAC name of 2-[[2-[[(2R)-butan-2-yl]-[(2S)-butan-2-yl]amino]-2-oxoethyl]-methylamino]-N-(3-methoxyphenyl)acetamide?
The IUPAC name of 2-[[2-[[(2R)-butan-2-yl]-[(2S)-butan-2-yl]amino]-2-oxoethyl]-methylamino]-N-(3-methoxyphenyl)acetamide (CID 8556475) is 2-[[2-[[(2R)-butan-2-yl]-[(2S)-butan-2-yl]amino]-2-oxoethyl]-methylamino]-N-(3-methoxyphenyl)acetamide.
What is the SMILES notation for 2-[[2-[[(2R)-butan-2-yl]-[(2S)-butan-2-yl]amino]-2-oxoethyl]-methylamino]-N-(3-methoxyphenyl)acetamide?
The canonical SMILES for 2-[[2-[[(2R)-butan-2-yl]-[(2S)-butan-2-yl]amino]-2-oxoethyl]-methylamino]-N-(3-methoxyphenyl)acetamide is CC[C@@H](C)N(C(=O)CN(C)CC(=O)Nc1cccc(OC)c1)[C@@H](C)CC.
What is the InChIKey of 2-[[2-[[(2R)-butan-2-yl]-[(2S)-butan-2-yl]amino]-2-oxoethyl]-methylamino]-N-(3-methoxyphenyl)acetamide?
The InChIKey is BDHMAJXAZOPKOT-IYBDPMFKSA-N. The full InChI is InChI=1S/C20H33N3O3/c1-7-15(3)23(16(4)8-2)20(25)14-22(5)13-19(24)21-17-10-9-11-18(12-17)26-6/h9-12,15-16H,7-8,13-14H2,1-6H3,(H,21,24)/t15-,16+.
What are the key properties of 2-[[2-[[(2R)-butan-2-yl]-[(2S)-butan-2-yl]amino]-2-oxoethyl]-methylamino]-N-(3-methoxyphenyl)acetamide?
2-[[2-[[(2R)-butan-2-yl]-[(2S)-butan-2-yl]amino]-2-oxoethyl]-methylamino]-N-(3-methoxyphenyl)acetamide has a molecular weight of 363.50 g/mol, XLogP of 2.99, 10 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-[[(2R)-butan-2-yl]-[(2S)-butan-2-yl]amino]-2-oxoethyl]-methylamino]-N-(3-methoxyphenyl)acetamide is sourced from PubChem (CID 8556475), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).