(2S)-2-acetamido-N-[(2S)-1-(4-chlorophenyl)-3-oxopropan-2-yl]-3-naphthalen-2-ylpropanamide

C24H23ClN2O3 — CID 173310860

IUPAC(2S)-2-acetamido-N-[(2S)-1-(4-chlorophenyl)-3-oxopropan-2-yl]-3-naphthalen-2-ylpropanamide
SMILESCC(=O)N[C@@H](Cc1ccc2ccccc2c1)C(=O)N[C@H](C=O)Cc1ccc(Cl)cc1
InChIInChI=1S/C24H23ClN2O3/c1-16(29)26-23(14-18-6-9-19-4-2-3-5-20(19)12-18)24(30)27-22(15-28)13-17-7-10-21(25)11-8-17/h2-12,15,22-23H,13-14H2,1H3,(H,26,29)(H,27,30)/t22-,23-/m0/s1
InChIKeyFOZZLCLKBXNIGQ-GOTSBHOMSA-N
MW422.91 g/mol
LogP3.47
Rot. Bonds8

About (2S)-2-acetamido-N-[(2S)-1-(4-chlorophenyl)-3-oxopropan-2-yl]-3-naphthalen-2-ylpropanamide

(2S)-2-acetamido-N-[(2S)-1-(4-chlorophenyl)-3-oxopropan-2-yl]-3-naphthalen-2-ylpropanamide (PubChem CID 173310860) has the molecular formula C24H23ClN2O3 and a molecular weight of 422.91 g/mol. Its IUPAC name is (2S)-2-acetamido-N-[(2S)-1-(4-chlorophenyl)-3-oxopropan-2-yl]-3-naphthalen-2-ylpropanamide.

Molecular Properties

Compound Name(2S)-2-acetamido-N-[(2S)-1-(4-chlorophenyl)-3-oxopropan-2-yl]-3-naphthalen-2-ylpropanamide
PubChem CID173310860
Molecular FormulaC24H23ClN2O3
Molecular Weight422.91 g/mol
Exact Mass422.14
IUPAC Name(2S)-2-acetamido-N-[(2S)-1-(4-chlorophenyl)-3-oxopropan-2-yl]-3-naphthalen-2-ylpropanamide
SMILESCC(=O)N[C@@H](Cc1ccc2ccccc2c1)C(=O)N[C@H](C=O)Cc1ccc(Cl)cc1
InChIInChI=1S/C24H23ClN2O3/c1-16(29)26-23(14-18-6-9-19-4-2-3-5-20(19)12-18)24(30)27-22(15-28)13-17-7-10-21(25)11-8-17/h2-12,15,22-23H,13-14H2,1H3,(H,26,29)(H,27,30)/t22-,23-/m0/s1
InChIKeyFOZZLCLKBXNIGQ-GOTSBHOMSA-N
XLogP3.47
TPSA75.27 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500422.91
LogP ≤ 53.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

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Related Compounds

(2S)-2-amino-3-methyl-N-(1-naphthalen-2-yl-3-oxopropan-2-yl)butanamide
CID 54434118
(2R)-2-[[(2R)-2-acetamido-3-naphthalen-2-ylpropanoyl]amino]-N-[(2R)-1-[[(2S)-1-[[(2S)-1-[[(2R)-6-(carbamoylamino)-1-oxohexan-2-yl]amino]-3-(4-hydroxyphenyl)-1-oxopropan-2-yl]amino]-3-hydroxy-1-oxopropan-2-yl]amino]-1-oxo-3-pyridin-3-ylpropan-2-yl]-3-(4-chlorophenyl)propanamide
CID 91498793
(2R)-2-[[(2R)-2-[[(2R)-2-[[(2R)-2-acetamido-3-naphthalen-2-ylpropanoyl]amino]-3-naphthalen-2-ylpropanoyl]amino]-3-naphthalen-2-ylpropanoyl]amino]-6-aminohexanamide
CID 164614909
[1-oxo-1-[(1-oxo-3-phenylpropan-2-yl)amino]-3-phenylpropan-2-yl]carbamic acid
CID 134556289
N-[1-(4-chlorophenyl)-3-oxobutan-2-yl]acetamide
CID 22111327
N-[(2R)-3-(4-chlorophenyl)-1-[(3R)-4-methyl-3-(naphthalen-2-ylmethyl)piperazin-1-yl]-1-oxopropan-2-yl]acetamide
CID 59295766
butyl N-(1-naphthalen-2-yl-3-oxopropan-2-yl)carbamate
CID 151598616
2-[[(2S)-1-oxo-1-[[(2S)-1-oxo-3-phenylpropan-2-yl]amino]-3-phenylpropan-2-yl]carbamoyl]benzoic acid
CID 174522393
ethane;(2S)-2-(methylamino)-3-naphthalen-2-ylpropanal;molecular hydrogen
CID 145374436
butyl (2S)-2-acetamido-3-naphthalen-2-ylpropanoate
CID 102138109
3-[(2-acetamido-3-naphthalen-2-ylpropanoyl)amino]-N-hydroxybenzamide
CID 87454003
3-[[(2S)-2-[(2-naphthalen-2-ylacetyl)amino]-3-phenylpropanoyl]amino]-2-oxobutanamide
CID 138480869

Frequently Asked Questions

What is the IUPAC name of (2S)-2-acetamido-N-[(2S)-1-(4-chlorophenyl)-3-oxopropan-2-yl]-3-naphthalen-2-ylpropanamide?
The IUPAC name of (2S)-2-acetamido-N-[(2S)-1-(4-chlorophenyl)-3-oxopropan-2-yl]-3-naphthalen-2-ylpropanamide (CID 173310860) is (2S)-2-acetamido-N-[(2S)-1-(4-chlorophenyl)-3-oxopropan-2-yl]-3-naphthalen-2-ylpropanamide.
What is the SMILES notation for (2S)-2-acetamido-N-[(2S)-1-(4-chlorophenyl)-3-oxopropan-2-yl]-3-naphthalen-2-ylpropanamide?
The canonical SMILES for (2S)-2-acetamido-N-[(2S)-1-(4-chlorophenyl)-3-oxopropan-2-yl]-3-naphthalen-2-ylpropanamide is CC(=O)N[C@@H](Cc1ccc2ccccc2c1)C(=O)N[C@H](C=O)Cc1ccc(Cl)cc1.
What is the InChIKey of (2S)-2-acetamido-N-[(2S)-1-(4-chlorophenyl)-3-oxopropan-2-yl]-3-naphthalen-2-ylpropanamide?
The InChIKey is FOZZLCLKBXNIGQ-GOTSBHOMSA-N. The full InChI is InChI=1S/C24H23ClN2O3/c1-16(29)26-23(14-18-6-9-19-4-2-3-5-20(19)12-18)24(30)27-22(15-28)13-17-7-10-21(25)11-8-17/h2-12,15,22-23H,13-14H2,1H3,(H,26,29)(H,27,30)/t22-,23-/m0/s1.
What are the key properties of (2S)-2-acetamido-N-[(2S)-1-(4-chlorophenyl)-3-oxopropan-2-yl]-3-naphthalen-2-ylpropanamide?
(2S)-2-acetamido-N-[(2S)-1-(4-chlorophenyl)-3-oxopropan-2-yl]-3-naphthalen-2-ylpropanamide has a molecular weight of 422.91 g/mol, XLogP of 3.47, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-acetamido-N-[(2S)-1-(4-chlorophenyl)-3-oxopropan-2-yl]-3-naphthalen-2-ylpropanamide is sourced from PubChem (CID 173310860), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).