(2S)-3-methyl-2-[(2-phenoxyacetyl)amino]-N-(4-phenylbutan-2-yl)butanamide

C23H30N2O3 — CID 55944631

IUPAC(2S)-3-methyl-2-[(2-phenoxyacetyl)amino]-N-(4-phenylbutan-2-yl)butanamide
SMILESCC(CCc1ccccc1)NC(=O)[C@@H](NC(=O)COc1ccccc1)C(C)C
InChIInChI=1S/C23H30N2O3/c1-17(2)22(25-21(26)16-28-20-12-8-5-9-13-20)23(27)24-18(3)14-15-19-10-6-4-7-11-19/h4-13,17-18,22H,14-16H2,1-3H3,(H,24,27)(H,25,26)/t18?,22-/m0/s1
InChIKeyZAOMHJDDLQXPPH-YSYXNDDBSA-N
MW382.50 g/mol
LogP3.34
Rot. Bonds10

About (2S)-3-methyl-2-[(2-phenoxyacetyl)amino]-N-(4-phenylbutan-2-yl)butanamide

(2S)-3-methyl-2-[(2-phenoxyacetyl)amino]-N-(4-phenylbutan-2-yl)butanamide (PubChem CID 55944631) has the molecular formula C23H30N2O3 and a molecular weight of 382.50 g/mol. Its IUPAC name is (2S)-3-methyl-2-[(2-phenoxyacetyl)amino]-N-(4-phenylbutan-2-yl)butanamide.

Molecular Properties

Compound Name(2S)-3-methyl-2-[(2-phenoxyacetyl)amino]-N-(4-phenylbutan-2-yl)butanamide
PubChem CID55944631
Molecular FormulaC23H30N2O3
Molecular Weight382.50 g/mol
Exact Mass382.23
IUPAC Name(2S)-3-methyl-2-[(2-phenoxyacetyl)amino]-N-(4-phenylbutan-2-yl)butanamide
SMILESCC(CCc1ccccc1)NC(=O)[C@@H](NC(=O)COc1ccccc1)C(C)C
InChIInChI=1S/C23H30N2O3/c1-17(2)22(25-21(26)16-28-20-12-8-5-9-13-20)23(27)24-18(3)14-15-19-10-6-4-7-11-19/h4-13,17-18,22H,14-16H2,1-3H3,(H,24,27)(H,25,26)/t18?,22-/m0/s1
InChIKeyZAOMHJDDLQXPPH-YSYXNDDBSA-N
XLogP3.34
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.50
LogP ≤ 53.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-[(2-phenoxyacetyl)amino]-N-[(2S)-4-phenylbutan-2-yl]acetamide
CID 2128560
2-(4-bromophenoxy)-N-(4-phenylbutan-2-yl)acetamide
CID 16552551
2-(4-cyanophenoxy)-N-(4-phenylbutan-2-yl)acetamide
CID 3593728
2-(4-nitrophenoxy)-N-[(2R)-4-phenylbutan-2-yl]acetamide
CID 2632338
3-methyl-2-[[2-(4-phenoxyphenoxy)acetyl]amino]butanoic acid
CID 3630383
3-methyl-2-[(2-phenoxyacetyl)amino]-N-pyridin-4-ylbutanamide
CID 51193908
[2-oxo-2-[[(2R)-4-phenylbutan-2-yl]amino]ethyl] 2-(4-methylphenoxy)acetate
CID 95795801
2-phenoxy-N-propan-2-ylacetamide
CID 3614481
(2S)-N-[(1S)-1-(2,5-dimethylthiophen-3-yl)ethyl]-3-methyl-2-[(2-phenoxyacetyl)amino]butanamide
CID 51938754
3-methyl-2-[(2-phenoxyacetyl)amino]-N-(4-pyrrol-1-ylphenyl)butanamide
CID 167966694
(2S)-3-methyl-2-[[2-(4-phenoxyphenoxy)acetyl]amino]butanoate
CID 2334236
(2R)-3-methyl-2-[[2-(4-propylphenoxy)acetyl]amino]butanoic acid
CID 9157214

Frequently Asked Questions

What is the IUPAC name of (2S)-3-methyl-2-[(2-phenoxyacetyl)amino]-N-(4-phenylbutan-2-yl)butanamide?
The IUPAC name of (2S)-3-methyl-2-[(2-phenoxyacetyl)amino]-N-(4-phenylbutan-2-yl)butanamide (CID 55944631) is (2S)-3-methyl-2-[(2-phenoxyacetyl)amino]-N-(4-phenylbutan-2-yl)butanamide.
What is the SMILES notation for (2S)-3-methyl-2-[(2-phenoxyacetyl)amino]-N-(4-phenylbutan-2-yl)butanamide?
The canonical SMILES for (2S)-3-methyl-2-[(2-phenoxyacetyl)amino]-N-(4-phenylbutan-2-yl)butanamide is CC(CCc1ccccc1)NC(=O)[C@@H](NC(=O)COc1ccccc1)C(C)C.
What is the InChIKey of (2S)-3-methyl-2-[(2-phenoxyacetyl)amino]-N-(4-phenylbutan-2-yl)butanamide?
The InChIKey is ZAOMHJDDLQXPPH-YSYXNDDBSA-N. The full InChI is InChI=1S/C23H30N2O3/c1-17(2)22(25-21(26)16-28-20-12-8-5-9-13-20)23(27)24-18(3)14-15-19-10-6-4-7-11-19/h4-13,17-18,22H,14-16H2,1-3H3,(H,24,27)(H,25,26)/t18?,22-/m0/s1.
What are the key properties of (2S)-3-methyl-2-[(2-phenoxyacetyl)amino]-N-(4-phenylbutan-2-yl)butanamide?
(2S)-3-methyl-2-[(2-phenoxyacetyl)amino]-N-(4-phenylbutan-2-yl)butanamide has a molecular weight of 382.50 g/mol, XLogP of 3.34, 10 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-3-methyl-2-[(2-phenoxyacetyl)amino]-N-(4-phenylbutan-2-yl)butanamide is sourced from PubChem (CID 55944631), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).