(2S)-2-[[2-(3,5-dimethylphenyl)acetyl]-(2-phenylethyl)amino]-N-propan-2-ylpropanamide

C24H32N2O2 — CID 100727006

IUPAC(2S)-2-[[2-(3,5-dimethylphenyl)acetyl]-(2-phenylethyl)amino]-N-propan-2-ylpropanamide
SMILESCc1cc(C)cc(CC(=O)N(CCc2ccccc2)[C@@H](C)C(=O)NC(C)C)c1
InChIInChI=1S/C24H32N2O2/c1-17(2)25-24(28)20(5)26(12-11-21-9-7-6-8-10-21)23(27)16-22-14-18(3)13-19(4)15-22/h6-10,13-15,17,20H,11-12,16H2,1-5H3,(H,25,28)/t20-/m0/s1
InChIKeyIAUGBSICCANZLG-FQEVSTJZSA-N
MW380.53 g/mol
LogP3.83
Rot. Bonds8

About (2S)-2-[[2-(3,5-dimethylphenyl)acetyl]-(2-phenylethyl)amino]-N-propan-2-ylpropanamide

(2S)-2-[[2-(3,5-dimethylphenyl)acetyl]-(2-phenylethyl)amino]-N-propan-2-ylpropanamide (PubChem CID 100727006) has the molecular formula C24H32N2O2 and a molecular weight of 380.53 g/mol. Its IUPAC name is (2S)-2-[[2-(3,5-dimethylphenyl)acetyl]-(2-phenylethyl)amino]-N-propan-2-ylpropanamide.

Molecular Properties

Compound Name(2S)-2-[[2-(3,5-dimethylphenyl)acetyl]-(2-phenylethyl)amino]-N-propan-2-ylpropanamide
PubChem CID100727006
Molecular FormulaC24H32N2O2
Molecular Weight380.53 g/mol
Exact Mass380.25
IUPAC Name(2S)-2-[[2-(3,5-dimethylphenyl)acetyl]-(2-phenylethyl)amino]-N-propan-2-ylpropanamide
SMILESCc1cc(C)cc(CC(=O)N(CCc2ccccc2)[C@@H](C)C(=O)NC(C)C)c1
InChIInChI=1S/C24H32N2O2/c1-17(2)25-24(28)20(5)26(12-11-21-9-7-6-8-10-21)23(27)16-22-14-18(3)13-19(4)15-22/h6-10,13-15,17,20H,11-12,16H2,1-5H3,(H,25,28)/t20-/m0/s1
InChIKeyIAUGBSICCANZLG-FQEVSTJZSA-N
XLogP3.83
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.53
LogP ≤ 53.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze (2S)-2-[[2-(3,5-dimethylphenyl)acetyl]-(2-phenylethyl)amino]-N-propan-2-ylpropanamide with MolForge

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Related Compounds

(2S)-2-[(2-phenylacetyl)-(2-phenylethyl)amino]-N-propan-2-ylpropanamide
CID 100721031
N-butyl-2-[[2-(3,5-dimethylphenyl)acetyl]-(2-phenylethyl)amino]propanamide
CID 132704484
(2S)-2-[[2-(2-fluorophenyl)acetyl]-(2-phenylethyl)amino]-N-propan-2-ylpropanamide
CID 100727038
2-[[2-(3-methylphenyl)acetyl]-(2-phenylethyl)amino]-N-propan-2-ylbutanamide
CID 132702829
N-[(2R)-1-oxo-1-(propan-2-ylamino)propan-2-yl]-N-(2-phenylethyl)butanamide
CID 100726790
N-[(2S)-1-oxo-1-(propan-2-ylamino)propan-2-yl]-N-(2-phenylethyl)butanamide
CID 100726781
N-tert-butyl-2-[[2-(3-methylphenyl)acetyl]-(2-phenylethyl)amino]propanamide
CID 132702923
2-[[2-[(4-methylphenyl)methylsulfanyl]acetyl]-(2-phenylethyl)amino]-N-propan-2-ylpropanamide
CID 132664288
(2R)-2-[benzyl-[2-(3,5-dimethylphenyl)acetyl]amino]-N-methylpropanamide
CID 100568029
(2S)-2-[[2-(2,5-dimethylphenoxy)acetyl]-(2-phenylethyl)amino]-N-propan-2-ylpropanamide
CID 100724937
2-[2-phenylethyl-(2-phenylsulfanylacetyl)amino]-N-propan-2-ylpropanamide
CID 132658025
(2R)-2-[benzyl-(2-phenylacetyl)amino]-N-propan-2-ylpropanamide
CID 100638766

Frequently Asked Questions

What is the IUPAC name of (2S)-2-[[2-(3,5-dimethylphenyl)acetyl]-(2-phenylethyl)amino]-N-propan-2-ylpropanamide?
The IUPAC name of (2S)-2-[[2-(3,5-dimethylphenyl)acetyl]-(2-phenylethyl)amino]-N-propan-2-ylpropanamide (CID 100727006) is (2S)-2-[[2-(3,5-dimethylphenyl)acetyl]-(2-phenylethyl)amino]-N-propan-2-ylpropanamide.
What is the SMILES notation for (2S)-2-[[2-(3,5-dimethylphenyl)acetyl]-(2-phenylethyl)amino]-N-propan-2-ylpropanamide?
The canonical SMILES for (2S)-2-[[2-(3,5-dimethylphenyl)acetyl]-(2-phenylethyl)amino]-N-propan-2-ylpropanamide is Cc1cc(C)cc(CC(=O)N(CCc2ccccc2)[C@@H](C)C(=O)NC(C)C)c1.
What is the InChIKey of (2S)-2-[[2-(3,5-dimethylphenyl)acetyl]-(2-phenylethyl)amino]-N-propan-2-ylpropanamide?
The InChIKey is IAUGBSICCANZLG-FQEVSTJZSA-N. The full InChI is InChI=1S/C24H32N2O2/c1-17(2)25-24(28)20(5)26(12-11-21-9-7-6-8-10-21)23(27)16-22-14-18(3)13-19(4)15-22/h6-10,13-15,17,20H,11-12,16H2,1-5H3,(H,25,28)/t20-/m0/s1.
What are the key properties of (2S)-2-[[2-(3,5-dimethylphenyl)acetyl]-(2-phenylethyl)amino]-N-propan-2-ylpropanamide?
(2S)-2-[[2-(3,5-dimethylphenyl)acetyl]-(2-phenylethyl)amino]-N-propan-2-ylpropanamide has a molecular weight of 380.53 g/mol, XLogP of 3.83, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-[[2-(3,5-dimethylphenyl)acetyl]-(2-phenylethyl)amino]-N-propan-2-ylpropanamide is sourced from PubChem (CID 100727006), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).