(2S)-N-cyclooctyl-3-hydroxy-2-[(2-naphthalen-1-ylacetyl)amino]propanamide

C23H30N2O3 — CID 6724215

IUPAC(2S)-N-cyclooctyl-3-hydroxy-2-[(2-naphthalen-1-ylacetyl)amino]propanamide
SMILESO=C(Cc1cccc2ccccc12)N[C@@H](CO)C(=O)NC1CCCCCCC1
InChIInChI=1S/C23H30N2O3/c26-16-21(23(28)24-19-12-4-2-1-3-5-13-19)25-22(27)15-18-11-8-10-17-9-6-7-14-20(17)18/h6-11,14,19,21,26H,1-5,12-13,15-16H2,(H,24,28)(H,25,27)/t21-/m0/s1
InChIKeyXYJJDNJTPAISMS-NRFANRHFSA-N
MW382.50 g/mol
LogP3.09
Rot. Bonds6

About (2S)-N-cyclooctyl-3-hydroxy-2-[(2-naphthalen-1-ylacetyl)amino]propanamide

(2S)-N-cyclooctyl-3-hydroxy-2-[(2-naphthalen-1-ylacetyl)amino]propanamide (PubChem CID 6724215) has the molecular formula C23H30N2O3 and a molecular weight of 382.50 g/mol. Its IUPAC name is (2S)-N-cyclooctyl-3-hydroxy-2-[(2-naphthalen-1-ylacetyl)amino]propanamide.

Molecular Properties

Compound Name(2S)-N-cyclooctyl-3-hydroxy-2-[(2-naphthalen-1-ylacetyl)amino]propanamide
PubChem CID6724215
Molecular FormulaC23H30N2O3
Molecular Weight382.50 g/mol
Exact Mass382.23
IUPAC Name(2S)-N-cyclooctyl-3-hydroxy-2-[(2-naphthalen-1-ylacetyl)amino]propanamide
SMILESO=C(Cc1cccc2ccccc12)N[C@@H](CO)C(=O)NC1CCCCCCC1
InChIInChI=1S/C23H30N2O3/c26-16-21(23(28)24-19-12-4-2-1-3-5-13-19)25-22(27)15-18-11-8-10-17-9-6-7-14-20(17)18/h6-11,14,19,21,26H,1-5,12-13,15-16H2,(H,24,28)(H,25,27)/t21-/m0/s1
InChIKeyXYJJDNJTPAISMS-NRFANRHFSA-N
XLogP3.09
TPSA78.43 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.50
LogP ≤ 53.09
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

N-cyclopentyl-3-hydroxy-2-[(2-naphthalen-2-ylacetyl)amino]propanamide
CID 3602543
N-cyclopropyl-2-naphthalen-1-ylacetamide
CID 976036
N-[(2S)-1-(cyclooctylamino)-3-hydroxy-1-oxopropan-2-yl]-4-pyren-1-ylbutanamide
CID 6722997
N-(2-amino-1-cyclohexylethyl)-2-naphthalen-1-ylacetamide
CID 119591137
N-[(R)-cyclopentyl(phenyl)methyl]-2-naphthalen-1-ylacetamide
CID 2203053
N-[(2S)-1-(cyclododecylamino)-3-hydroxy-1-oxopropan-2-yl]-1H-indole-2-carboxamide
CID 6722885
[2-(cyclooctylamino)-2-oxoethyl] 2-naphthalen-1-ylacetate
CID 2625308
3-benzoyl-N-[(2S)-1-(cyclododecylamino)-3-hydroxy-1-oxopropan-2-yl]benzamide
CID 6723604
N-[(4-chlorophenyl)methyl]-3-hydroxy-2-[(2-naphthalen-1-ylacetyl)amino]propanamide
CID 4575001
N-[(2S)-3-hydroxy-1-morpholin-4-yl-1-oxopropan-2-yl]-2-naphthalen-1-ylacetamide
CID 6724203
(2R)-4-hydroxy-2-[(2-naphthalen-1-ylacetyl)amino]butanoic acid
CID 107823520
(2S)-N-cyclopentyl-3-hydroxy-2-(2-phenylpropanoylamino)propanamide
CID 6667454

Frequently Asked Questions

What is the IUPAC name of (2S)-N-cyclooctyl-3-hydroxy-2-[(2-naphthalen-1-ylacetyl)amino]propanamide?
The IUPAC name of (2S)-N-cyclooctyl-3-hydroxy-2-[(2-naphthalen-1-ylacetyl)amino]propanamide (CID 6724215) is (2S)-N-cyclooctyl-3-hydroxy-2-[(2-naphthalen-1-ylacetyl)amino]propanamide.
What is the SMILES notation for (2S)-N-cyclooctyl-3-hydroxy-2-[(2-naphthalen-1-ylacetyl)amino]propanamide?
The canonical SMILES for (2S)-N-cyclooctyl-3-hydroxy-2-[(2-naphthalen-1-ylacetyl)amino]propanamide is O=C(Cc1cccc2ccccc12)N[C@@H](CO)C(=O)NC1CCCCCCC1.
What is the InChIKey of (2S)-N-cyclooctyl-3-hydroxy-2-[(2-naphthalen-1-ylacetyl)amino]propanamide?
The InChIKey is XYJJDNJTPAISMS-NRFANRHFSA-N. The full InChI is InChI=1S/C23H30N2O3/c26-16-21(23(28)24-19-12-4-2-1-3-5-13-19)25-22(27)15-18-11-8-10-17-9-6-7-14-20(17)18/h6-11,14,19,21,26H,1-5,12-13,15-16H2,(H,24,28)(H,25,27)/t21-/m0/s1.
What are the key properties of (2S)-N-cyclooctyl-3-hydroxy-2-[(2-naphthalen-1-ylacetyl)amino]propanamide?
(2S)-N-cyclooctyl-3-hydroxy-2-[(2-naphthalen-1-ylacetyl)amino]propanamide has a molecular weight of 382.50 g/mol, XLogP of 3.09, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-N-cyclooctyl-3-hydroxy-2-[(2-naphthalen-1-ylacetyl)amino]propanamide is sourced from PubChem (CID 6724215), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).