(2S)-2-[(2-phenylacetyl)-(2-phenylethyl)amino]-N-propan-2-ylpropanamide

C22H28N2O2 — CID 100721031

IUPAC(2S)-2-[(2-phenylacetyl)-(2-phenylethyl)amino]-N-propan-2-ylpropanamide
SMILESCC(C)NC(=O)[C@H](C)N(CCc1ccccc1)C(=O)Cc1ccccc1
InChIInChI=1S/C22H28N2O2/c1-17(2)23-22(26)18(3)24(15-14-19-10-6-4-7-11-19)21(25)16-20-12-8-5-9-13-20/h4-13,17-18H,14-16H2,1-3H3,(H,23,26)/t18-/m0/s1
InChIKeyAWPQMRVWZVEHEZ-SFHVURJKSA-N
MW352.48 g/mol
LogP3.21
Rot. Bonds8

About (2S)-2-[(2-phenylacetyl)-(2-phenylethyl)amino]-N-propan-2-ylpropanamide

(2S)-2-[(2-phenylacetyl)-(2-phenylethyl)amino]-N-propan-2-ylpropanamide (PubChem CID 100721031) has the molecular formula C22H28N2O2 and a molecular weight of 352.48 g/mol. Its IUPAC name is (2S)-2-[(2-phenylacetyl)-(2-phenylethyl)amino]-N-propan-2-ylpropanamide.

Molecular Properties

Compound Name(2S)-2-[(2-phenylacetyl)-(2-phenylethyl)amino]-N-propan-2-ylpropanamide
PubChem CID100721031
Molecular FormulaC22H28N2O2
Molecular Weight352.48 g/mol
Exact Mass352.22
IUPAC Name(2S)-2-[(2-phenylacetyl)-(2-phenylethyl)amino]-N-propan-2-ylpropanamide
SMILESCC(C)NC(=O)[C@H](C)N(CCc1ccccc1)C(=O)Cc1ccccc1
InChIInChI=1S/C22H28N2O2/c1-17(2)23-22(26)18(3)24(15-14-19-10-6-4-7-11-19)21(25)16-20-12-8-5-9-13-20/h4-13,17-18H,14-16H2,1-3H3,(H,23,26)/t18-/m0/s1
InChIKeyAWPQMRVWZVEHEZ-SFHVURJKSA-N
XLogP3.21
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.48
LogP ≤ 53.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(2S)-2-[[2-(3,5-dimethylphenyl)acetyl]-(2-phenylethyl)amino]-N-propan-2-ylpropanamide
CID 100727006
(2S)-2-[[2-(2-fluorophenyl)acetyl]-(2-phenylethyl)amino]-N-propan-2-ylpropanamide
CID 100727038
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
(2R)-2-[benzyl-(2-phenylacetyl)amino]-N-propan-2-ylpropanamide
CID 100638766
2-[2-phenylethyl-(2-phenylsulfanylacetyl)amino]-N-propan-2-ylpropanamide
CID 132658025
(2S)-2-[2-phenylethyl-[3-(4-propan-2-ylphenyl)propanoyl]amino]-N-propan-2-ylpropanamide
CID 100725909
2-[[2-(4-chlorophenyl)acetyl]-(2-phenylethyl)amino]-N-methylpropanamide
CID 132654073
(2R)-N-[(2S)-butan-2-yl]-2-[[2-(4-methoxyphenyl)acetyl]-(2-phenylethyl)amino]propanamide
CID 100637034
(2S)-2-[benzyl-[2-(4-methylphenyl)acetyl]amino]-N-propan-2-ylpropanamide
CID 100645911
(2S)-2-[(4-methylphenyl)methyl-(2-phenylacetyl)amino]-N-propan-2-ylpropanamide
CID 100663135
2-[[2-[(4-methylphenyl)methylsulfanyl]acetyl]-(2-phenylethyl)amino]-N-propan-2-ylpropanamide
CID 132664288

Frequently Asked Questions

What is the IUPAC name of (2S)-2-[(2-phenylacetyl)-(2-phenylethyl)amino]-N-propan-2-ylpropanamide?
The IUPAC name of (2S)-2-[(2-phenylacetyl)-(2-phenylethyl)amino]-N-propan-2-ylpropanamide (CID 100721031) is (2S)-2-[(2-phenylacetyl)-(2-phenylethyl)amino]-N-propan-2-ylpropanamide.
What is the SMILES notation for (2S)-2-[(2-phenylacetyl)-(2-phenylethyl)amino]-N-propan-2-ylpropanamide?
The canonical SMILES for (2S)-2-[(2-phenylacetyl)-(2-phenylethyl)amino]-N-propan-2-ylpropanamide is CC(C)NC(=O)[C@H](C)N(CCc1ccccc1)C(=O)Cc1ccccc1.
What is the InChIKey of (2S)-2-[(2-phenylacetyl)-(2-phenylethyl)amino]-N-propan-2-ylpropanamide?
The InChIKey is AWPQMRVWZVEHEZ-SFHVURJKSA-N. The full InChI is InChI=1S/C22H28N2O2/c1-17(2)23-22(26)18(3)24(15-14-19-10-6-4-7-11-19)21(25)16-20-12-8-5-9-13-20/h4-13,17-18H,14-16H2,1-3H3,(H,23,26)/t18-/m0/s1.
What are the key properties of (2S)-2-[(2-phenylacetyl)-(2-phenylethyl)amino]-N-propan-2-ylpropanamide?
(2S)-2-[(2-phenylacetyl)-(2-phenylethyl)amino]-N-propan-2-ylpropanamide has a molecular weight of 352.48 g/mol, XLogP of 3.21, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-[(2-phenylacetyl)-(2-phenylethyl)amino]-N-propan-2-ylpropanamide is sourced from PubChem (CID 100721031), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).