(2S)-2-[(4-methylphenyl)methyl-(2-phenylacetyl)amino]-N-propan-2-ylpropanamide

C22H28N2O2 — CID 100663135

IUPAC(2S)-2-[(4-methylphenyl)methyl-(2-phenylacetyl)amino]-N-propan-2-ylpropanamide
SMILESCc1ccc(CN(C(=O)Cc2ccccc2)[C@@H](C)C(=O)NC(C)C)cc1
InChIInChI=1S/C22H28N2O2/c1-16(2)23-22(26)18(4)24(15-20-12-10-17(3)11-13-20)21(25)14-19-8-6-5-7-9-19/h5-13,16,18H,14-15H2,1-4H3,(H,23,26)/t18-/m0/s1
InChIKeyLWFIELPTPKTWRO-SFHVURJKSA-N
MW352.48 g/mol
LogP3.48
Rot. Bonds7

About (2S)-2-[(4-methylphenyl)methyl-(2-phenylacetyl)amino]-N-propan-2-ylpropanamide

(2S)-2-[(4-methylphenyl)methyl-(2-phenylacetyl)amino]-N-propan-2-ylpropanamide (PubChem CID 100663135) has the molecular formula C22H28N2O2 and a molecular weight of 352.48 g/mol. Its IUPAC name is (2S)-2-[(4-methylphenyl)methyl-(2-phenylacetyl)amino]-N-propan-2-ylpropanamide.

Molecular Properties

Compound Name(2S)-2-[(4-methylphenyl)methyl-(2-phenylacetyl)amino]-N-propan-2-ylpropanamide
PubChem CID100663135
Molecular FormulaC22H28N2O2
Molecular Weight352.48 g/mol
Exact Mass352.22
IUPAC Name(2S)-2-[(4-methylphenyl)methyl-(2-phenylacetyl)amino]-N-propan-2-ylpropanamide
SMILESCc1ccc(CN(C(=O)Cc2ccccc2)[C@@H](C)C(=O)NC(C)C)cc1
InChIInChI=1S/C22H28N2O2/c1-16(2)23-22(26)18(4)24(15-20-12-10-17(3)11-13-20)21(25)14-19-8-6-5-7-9-19/h5-13,16,18H,14-15H2,1-4H3,(H,23,26)/t18-/m0/s1
InChIKeyLWFIELPTPKTWRO-SFHVURJKSA-N
XLogP3.48
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.48
LogP ≤ 53.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(2S)-2-[benzyl-[2-(4-methylphenyl)acetyl]amino]-N-propan-2-ylpropanamide
CID 100645911
(2R)-2-[benzyl-(2-phenylacetyl)amino]-N-propan-2-ylpropanamide
CID 100638766
(2R)-2-[benzyl-[2-(4-methylphenyl)acetyl]amino]-N-[(2R)-butan-2-yl]propanamide
CID 100521800
(2S)-2-[[2-(4-fluorophenyl)acetyl]-[(4-methylphenyl)methyl]amino]-N-propan-2-ylpropanamide
CID 100669445
2-[benzyl-(2-phenylacetyl)amino]-N-[(4-methylphenyl)methyl]propanamide
CID 133148959
2-[(4-methylphenyl)methyl-(2-phenylacetyl)amino]-N-propylpropanamide
CID 132653203
2-[benzyl-[2-(2,5-dimethylphenyl)acetyl]amino]-N-propan-2-ylpropanamide
CID 132654863
(2S)-2-[[2-(3,4-dimethylphenyl)acetyl]-[(4-methylphenyl)methyl]amino]-N-propan-2-ylpropanamide
CID 100667543
(2S)-2-[benzyl-[2-[(4-methylphenyl)methylsulfanyl]acetyl]amino]-N-propan-2-ylpropanamide
CID 100638974
(2R)-2-[(4-fluorophenyl)methyl-[2-(4-methylphenyl)acetyl]amino]-3-phenyl-N-propan-2-ylpropanamide
CID 100516594
(2S)-2-[(4-methylphenyl)methyl-(2-phenylsulfanylacetyl)amino]-N-propan-2-ylpropanamide
CID 100663170
2-[[2-(4-fluorophenyl)acetyl]-[(4-fluorophenyl)methyl]amino]-N-propan-2-ylpropanamide
CID 132656209

Frequently Asked Questions

What is the IUPAC name of (2S)-2-[(4-methylphenyl)methyl-(2-phenylacetyl)amino]-N-propan-2-ylpropanamide?
The IUPAC name of (2S)-2-[(4-methylphenyl)methyl-(2-phenylacetyl)amino]-N-propan-2-ylpropanamide (CID 100663135) is (2S)-2-[(4-methylphenyl)methyl-(2-phenylacetyl)amino]-N-propan-2-ylpropanamide.
What is the SMILES notation for (2S)-2-[(4-methylphenyl)methyl-(2-phenylacetyl)amino]-N-propan-2-ylpropanamide?
The canonical SMILES for (2S)-2-[(4-methylphenyl)methyl-(2-phenylacetyl)amino]-N-propan-2-ylpropanamide is Cc1ccc(CN(C(=O)Cc2ccccc2)[C@@H](C)C(=O)NC(C)C)cc1.
What is the InChIKey of (2S)-2-[(4-methylphenyl)methyl-(2-phenylacetyl)amino]-N-propan-2-ylpropanamide?
The InChIKey is LWFIELPTPKTWRO-SFHVURJKSA-N. The full InChI is InChI=1S/C22H28N2O2/c1-16(2)23-22(26)18(4)24(15-20-12-10-17(3)11-13-20)21(25)14-19-8-6-5-7-9-19/h5-13,16,18H,14-15H2,1-4H3,(H,23,26)/t18-/m0/s1.
What are the key properties of (2S)-2-[(4-methylphenyl)methyl-(2-phenylacetyl)amino]-N-propan-2-ylpropanamide?
(2S)-2-[(4-methylphenyl)methyl-(2-phenylacetyl)amino]-N-propan-2-ylpropanamide has a molecular weight of 352.48 g/mol, XLogP of 3.48, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-[(4-methylphenyl)methyl-(2-phenylacetyl)amino]-N-propan-2-ylpropanamide is sourced from PubChem (CID 100663135), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).