(2S)-2-[3-naphthalen-1-ylpropanoyl(2-phenylethyl)amino]-N-propylbutanamide

C28H34N2O2 — CID 100637571

IUPAC(2S)-2-[3-naphthalen-1-ylpropanoyl(2-phenylethyl)amino]-N-propylbutanamide
SMILESCCCNC(=O)[C@H](CC)N(CCc1ccccc1)C(=O)CCc1cccc2ccccc12
InChIInChI=1S/C28H34N2O2/c1-3-20-29-28(32)26(4-2)30(21-19-22-11-6-5-7-12-22)27(31)18-17-24-15-10-14-23-13-8-9-16-25(23)24/h5-16,26H,3-4,17-21H2,1-2H3,(H,29,32)/t26-/m0/s1
InChIKeyGGWDZOLMCCGGKS-SANMLTNESA-N
MW430.59 g/mol
LogP5.15
Rot. Bonds11

About (2S)-2-[3-naphthalen-1-ylpropanoyl(2-phenylethyl)amino]-N-propylbutanamide

(2S)-2-[3-naphthalen-1-ylpropanoyl(2-phenylethyl)amino]-N-propylbutanamide (PubChem CID 100637571) has the molecular formula C28H34N2O2 and a molecular weight of 430.59 g/mol. Its IUPAC name is (2S)-2-[3-naphthalen-1-ylpropanoyl(2-phenylethyl)amino]-N-propylbutanamide.

Molecular Properties

Compound Name(2S)-2-[3-naphthalen-1-ylpropanoyl(2-phenylethyl)amino]-N-propylbutanamide
PubChem CID100637571
Molecular FormulaC28H34N2O2
Molecular Weight430.59 g/mol
Exact Mass430.26
IUPAC Name(2S)-2-[3-naphthalen-1-ylpropanoyl(2-phenylethyl)amino]-N-propylbutanamide
SMILESCCCNC(=O)[C@H](CC)N(CCc1ccccc1)C(=O)CCc1cccc2ccccc12
InChIInChI=1S/C28H34N2O2/c1-3-20-29-28(32)26(4-2)30(21-19-22-11-6-5-7-12-22)27(31)18-17-24-15-10-14-23-13-8-9-16-25(23)24/h5-16,26H,3-4,17-21H2,1-2H3,(H,29,32)/t26-/m0/s1
InChIKeyGGWDZOLMCCGGKS-SANMLTNESA-N
XLogP5.15
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds11
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500430.59
LogP ≤ 55.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-[butanoyl(2-phenylethyl)amino]-N-propylbutanamide
CID 132650766
N-cyclohexyl-2-[3-naphthalen-1-ylpropanoyl(2-phenylethyl)amino]butanamide
CID 132615507
2-[(2-methylphenyl)methyl-(3-naphthalen-1-ylpropanoyl)amino]-N-propylbutanamide
CID 132669053
(2S)-2-[(3,4-dichlorophenyl)methyl-(3-naphthalen-1-ylpropanoyl)amino]-N-propylbutanamide
CID 100595884
(2S)-2-[[2-(2-methylphenyl)acetyl]-(2-phenylethyl)amino]-N-propylbutanamide
CID 100638415
2-[3,3-diphenylpropanoyl(2-phenylethyl)amino]-N-propylbutanamide
CID 132675541
N-(2-methylpropyl)-2-[2-phenylethyl(3-phenylpropanoyl)amino]butanamide
CID 132704439
(2R)-N-(2-methylpropyl)-2-[2-phenylethyl(3-phenylpropanoyl)amino]butanamide
CID 100509553
(2R)-2-[(2,4-dichlorophenyl)methyl-(3-naphthalen-1-ylpropanoyl)amino]-N-propylbutanamide
CID 100589316
(2S)-2-[benzyl(3-naphthalen-1-ylpropanoyl)amino]-N-butyl-3-phenylpropanamide
CID 100584985
(2R)-2-[benzyl-[3-(2-chlorophenyl)propanoyl]amino]-N-propylbutanamide
CID 100542315
N-butyl-2-[(2-naphthalen-1-yloxyacetyl)-(2-phenylethyl)amino]butanamide
CID 132715904

Frequently Asked Questions

What is the IUPAC name of (2S)-2-[3-naphthalen-1-ylpropanoyl(2-phenylethyl)amino]-N-propylbutanamide?
The IUPAC name of (2S)-2-[3-naphthalen-1-ylpropanoyl(2-phenylethyl)amino]-N-propylbutanamide (CID 100637571) is (2S)-2-[3-naphthalen-1-ylpropanoyl(2-phenylethyl)amino]-N-propylbutanamide.
What is the SMILES notation for (2S)-2-[3-naphthalen-1-ylpropanoyl(2-phenylethyl)amino]-N-propylbutanamide?
The canonical SMILES for (2S)-2-[3-naphthalen-1-ylpropanoyl(2-phenylethyl)amino]-N-propylbutanamide is CCCNC(=O)[C@H](CC)N(CCc1ccccc1)C(=O)CCc1cccc2ccccc12.
What is the InChIKey of (2S)-2-[3-naphthalen-1-ylpropanoyl(2-phenylethyl)amino]-N-propylbutanamide?
The InChIKey is GGWDZOLMCCGGKS-SANMLTNESA-N. The full InChI is InChI=1S/C28H34N2O2/c1-3-20-29-28(32)26(4-2)30(21-19-22-11-6-5-7-12-22)27(31)18-17-24-15-10-14-23-13-8-9-16-25(23)24/h5-16,26H,3-4,17-21H2,1-2H3,(H,29,32)/t26-/m0/s1.
What are the key properties of (2S)-2-[3-naphthalen-1-ylpropanoyl(2-phenylethyl)amino]-N-propylbutanamide?
(2S)-2-[3-naphthalen-1-ylpropanoyl(2-phenylethyl)amino]-N-propylbutanamide has a molecular weight of 430.59 g/mol, XLogP of 5.15, 11 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-[3-naphthalen-1-ylpropanoyl(2-phenylethyl)amino]-N-propylbutanamide is sourced from PubChem (CID 100637571), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).