(2S)-2-[[2-(2-methylphenyl)acetyl]-(2-phenylethyl)amino]-N-propylbutanamide

C24H32N2O2 — CID 100638415

IUPAC(2S)-2-[[2-(2-methylphenyl)acetyl]-(2-phenylethyl)amino]-N-propylbutanamide
SMILESCCCNC(=O)[C@H](CC)N(CCc1ccccc1)C(=O)Cc1ccccc1C
InChIInChI=1S/C24H32N2O2/c1-4-16-25-24(28)22(5-2)26(17-15-20-12-7-6-8-13-20)23(27)18-21-14-10-9-11-19(21)3/h6-14,22H,4-5,15-18H2,1-3H3,(H,25,28)/t22-/m0/s1
InChIKeySXWMPWPYIMERNV-QFIPXVFZSA-N
MW380.53 g/mol
LogP3.91
Rot. Bonds10

About (2S)-2-[[2-(2-methylphenyl)acetyl]-(2-phenylethyl)amino]-N-propylbutanamide

(2S)-2-[[2-(2-methylphenyl)acetyl]-(2-phenylethyl)amino]-N-propylbutanamide (PubChem CID 100638415) has the molecular formula C24H32N2O2 and a molecular weight of 380.53 g/mol. Its IUPAC name is (2S)-2-[[2-(2-methylphenyl)acetyl]-(2-phenylethyl)amino]-N-propylbutanamide.

Molecular Properties

Compound Name(2S)-2-[[2-(2-methylphenyl)acetyl]-(2-phenylethyl)amino]-N-propylbutanamide
PubChem CID100638415
Molecular FormulaC24H32N2O2
Molecular Weight380.53 g/mol
Exact Mass380.25
IUPAC Name(2S)-2-[[2-(2-methylphenyl)acetyl]-(2-phenylethyl)amino]-N-propylbutanamide
SMILESCCCNC(=O)[C@H](CC)N(CCc1ccccc1)C(=O)Cc1ccccc1C
InChIInChI=1S/C24H32N2O2/c1-4-16-25-24(28)22(5-2)26(17-15-20-12-7-6-8-13-20)23(27)18-21-14-10-9-11-19(21)3/h6-14,22H,4-5,15-18H2,1-3H3,(H,25,28)/t22-/m0/s1
InChIKeySXWMPWPYIMERNV-QFIPXVFZSA-N
XLogP3.91
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds10
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.53
LogP ≤ 53.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-butyl-2-[[2-(2-methylphenyl)acetyl]-(2-phenylethyl)amino]butanamide
CID 132704476
2-[butanoyl(2-phenylethyl)amino]-N-propylbutanamide
CID 132650766
2-[[2-(2,5-dimethylphenyl)acetyl]-(2-phenylethyl)amino]-N-ethylbutanamide
CID 132657067
2-[3,3-diphenylpropanoyl(2-phenylethyl)amino]-N-propylbutanamide
CID 132675541
(2S)-2-[[2-(2-methyl-N-methylsulfonylanilino)acetyl]-(2-phenylethyl)amino]-N-propylbutanamide
CID 100630196
N-ethyl-2-[(2-phenylacetyl)-(2-phenylethyl)amino]butanamide
CID 132653231
(2S)-2-[3-naphthalen-1-ylpropanoyl(2-phenylethyl)amino]-N-propylbutanamide
CID 100637571
2-[[2-[N-(benzenesulfonyl)-2-methylanilino]acetyl]-(2-phenylethyl)amino]-N-propylbutanamide
CID 132685335
(2S)-2-[[2-(4-methylphenoxy)acetyl]-(2-phenylethyl)amino]-N-propylbutanamide
CID 100637813
N-butyl-2-[[2-(4-fluorophenyl)acetyl]-(2-phenylethyl)amino]butanamide
CID 132705262
2-[(3,4-dichlorophenyl)methyl-[2-(2-methylphenyl)acetyl]amino]-N-propylbutanamide
CID 132670463
2-[benzyl-[2-(2-methylphenyl)acetyl]amino]-N-propan-2-ylbutanamide
CID 132654865

Frequently Asked Questions

What is the IUPAC name of (2S)-2-[[2-(2-methylphenyl)acetyl]-(2-phenylethyl)amino]-N-propylbutanamide?
The IUPAC name of (2S)-2-[[2-(2-methylphenyl)acetyl]-(2-phenylethyl)amino]-N-propylbutanamide (CID 100638415) is (2S)-2-[[2-(2-methylphenyl)acetyl]-(2-phenylethyl)amino]-N-propylbutanamide.
What is the SMILES notation for (2S)-2-[[2-(2-methylphenyl)acetyl]-(2-phenylethyl)amino]-N-propylbutanamide?
The canonical SMILES for (2S)-2-[[2-(2-methylphenyl)acetyl]-(2-phenylethyl)amino]-N-propylbutanamide is CCCNC(=O)[C@H](CC)N(CCc1ccccc1)C(=O)Cc1ccccc1C.
What is the InChIKey of (2S)-2-[[2-(2-methylphenyl)acetyl]-(2-phenylethyl)amino]-N-propylbutanamide?
The InChIKey is SXWMPWPYIMERNV-QFIPXVFZSA-N. The full InChI is InChI=1S/C24H32N2O2/c1-4-16-25-24(28)22(5-2)26(17-15-20-12-7-6-8-13-20)23(27)18-21-14-10-9-11-19(21)3/h6-14,22H,4-5,15-18H2,1-3H3,(H,25,28)/t22-/m0/s1.
What are the key properties of (2S)-2-[[2-(2-methylphenyl)acetyl]-(2-phenylethyl)amino]-N-propylbutanamide?
(2S)-2-[[2-(2-methylphenyl)acetyl]-(2-phenylethyl)amino]-N-propylbutanamide has a molecular weight of 380.53 g/mol, XLogP of 3.91, 10 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-[[2-(2-methylphenyl)acetyl]-(2-phenylethyl)amino]-N-propylbutanamide is sourced from PubChem (CID 100638415), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).