N-[(2S)-1-(naphthalen-2-ylamino)-8-oxodecan-2-yl]acetamide

C22H30N2O2 — CID 151667260

IUPACN-[(2S)-1-(naphthalen-2-ylamino)-8-oxodecan-2-yl]acetamide
SMILESCCC(=O)CCCCC[C@@H](CNc1ccc2ccccc2c1)NC(C)=O
InChIInChI=1S/C22H30N2O2/c1-3-22(26)12-6-4-5-11-21(24-17(2)25)16-23-20-14-13-18-9-7-8-10-19(18)15-20/h7-10,13-15,21,23H,3-6,11-12,16H2,1-2H3,(H,24,25)/t21-/m0/s1
InChIKeyXBNDKHDUPGVVSW-NRFANRHFSA-N
MW354.49 g/mol
LogP4.69
Rot. Bonds11

About N-[(2S)-1-(naphthalen-2-ylamino)-8-oxodecan-2-yl]acetamide

N-[(2S)-1-(naphthalen-2-ylamino)-8-oxodecan-2-yl]acetamide (PubChem CID 151667260) has the molecular formula C22H30N2O2 and a molecular weight of 354.49 g/mol. Its IUPAC name is N-[(2S)-1-(naphthalen-2-ylamino)-8-oxodecan-2-yl]acetamide.

Molecular Properties

Compound NameN-[(2S)-1-(naphthalen-2-ylamino)-8-oxodecan-2-yl]acetamide
PubChem CID151667260
Molecular FormulaC22H30N2O2
Molecular Weight354.49 g/mol
Exact Mass354.23
IUPAC NameN-[(2S)-1-(naphthalen-2-ylamino)-8-oxodecan-2-yl]acetamide
SMILESCCC(=O)CCCCC[C@@H](CNc1ccc2ccccc2c1)NC(C)=O
InChIInChI=1S/C22H30N2O2/c1-3-22(26)12-6-4-5-11-21(24-17(2)25)16-23-20-14-13-18-9-7-8-10-19(18)15-20/h7-10,13-15,21,23H,3-6,11-12,16H2,1-2H3,(H,24,25)/t21-/m0/s1
InChIKeyXBNDKHDUPGVVSW-NRFANRHFSA-N
XLogP4.69
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds11
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.49
LogP ≤ 54.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

(2S)-2-(4-methylpentanoylamino)-N-naphthalen-2-yl-8-oxodecanamide
CID 69322278
4-(2-acetamidotetradecylamino)benzoic acid
CID 57089067
N-[2-oxo-2-[[8-oxo-1-(pyridin-3-ylamino)decan-2-yl]amino]ethyl]benzamide
CID 151676294
[(2S)-1-[2-(naphthalene-2-carbonyl)hydrazinyl]-1,8-dioxodecan-2-yl]carbamic acid
CID 67268811
6-(naphthalen-2-ylamino)hexanoic acid
CID 14979105
N-naphthalen-2-yl-8-oxononanamide
CID 156626701
(2S)-2-(methylamino)-3-(naphthalen-2-ylamino)propanoic acid
CID 167305081
N-[(2S)-1-(naphthalen-2-ylamino)-1,8-dioxodecan-2-yl]-2-(tetrazol-1-yl)benzamide
CID 69318032
5-(naphthalen-2-ylamino)pentanoic acid
CID 28972022
2-(naphthalen-2-ylamino)-N-propan-2-ylacetamide
CID 43398270
3-ethyl-1-(naphthalen-2-ylamino)pentan-2-ol
CID 106287465
2-(naphthalen-2-ylamino)-N-(1-phenylpropyl)acetamide
CID 54839833

Frequently Asked Questions

What is the IUPAC name of N-[(2S)-1-(naphthalen-2-ylamino)-8-oxodecan-2-yl]acetamide?
The IUPAC name of N-[(2S)-1-(naphthalen-2-ylamino)-8-oxodecan-2-yl]acetamide (CID 151667260) is N-[(2S)-1-(naphthalen-2-ylamino)-8-oxodecan-2-yl]acetamide.
What is the SMILES notation for N-[(2S)-1-(naphthalen-2-ylamino)-8-oxodecan-2-yl]acetamide?
The canonical SMILES for N-[(2S)-1-(naphthalen-2-ylamino)-8-oxodecan-2-yl]acetamide is CCC(=O)CCCCC[C@@H](CNc1ccc2ccccc2c1)NC(C)=O.
What is the InChIKey of N-[(2S)-1-(naphthalen-2-ylamino)-8-oxodecan-2-yl]acetamide?
The InChIKey is XBNDKHDUPGVVSW-NRFANRHFSA-N. The full InChI is InChI=1S/C22H30N2O2/c1-3-22(26)12-6-4-5-11-21(24-17(2)25)16-23-20-14-13-18-9-7-8-10-19(18)15-20/h7-10,13-15,21,23H,3-6,11-12,16H2,1-2H3,(H,24,25)/t21-/m0/s1.
What are the key properties of N-[(2S)-1-(naphthalen-2-ylamino)-8-oxodecan-2-yl]acetamide?
N-[(2S)-1-(naphthalen-2-ylamino)-8-oxodecan-2-yl]acetamide has a molecular weight of 354.49 g/mol, XLogP of 4.69, 11 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2S)-1-(naphthalen-2-ylamino)-8-oxodecan-2-yl]acetamide is sourced from PubChem (CID 151667260), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).