N-(2-methyl-2-naphthalen-1-ylpropyl)-2-oxoacetamide

C16H17NO2 — CID 115166889

IUPACN-(2-methyl-2-naphthalen-1-ylpropyl)-2-oxoacetamide
SMILESCC(C)(CNC(=O)C=O)c1cccc2ccccc12
InChIInChI=1S/C16H17NO2/c1-16(2,11-17-15(19)10-18)14-9-5-7-12-6-3-4-8-13(12)14/h3-10H,11H2,1-2H3,(H,17,19)
InChIKeyZHAUPUWDKIOCLJ-UHFFFAOYSA-N
MW255.32 g/mol
LogP2.43
Rot. Bonds4

About N-(2-methyl-2-naphthalen-1-ylpropyl)-2-oxoacetamide

N-(2-methyl-2-naphthalen-1-ylpropyl)-2-oxoacetamide (PubChem CID 115166889) has the molecular formula C16H17NO2 and a molecular weight of 255.32 g/mol. Its IUPAC name is N-(2-methyl-2-naphthalen-1-ylpropyl)-2-oxoacetamide.

Molecular Properties

Compound NameN-(2-methyl-2-naphthalen-1-ylpropyl)-2-oxoacetamide
PubChem CID115166889
Molecular FormulaC16H17NO2
Molecular Weight255.32 g/mol
Exact Mass255.13
IUPAC NameN-(2-methyl-2-naphthalen-1-ylpropyl)-2-oxoacetamide
SMILESCC(C)(CNC(=O)C=O)c1cccc2ccccc12
InChIInChI=1S/C16H17NO2/c1-16(2,11-17-15(19)10-18)14-9-5-7-12-6-3-4-8-13(12)14/h3-10H,11H2,1-2H3,(H,17,19)
InChIKeyZHAUPUWDKIOCLJ-UHFFFAOYSA-N
XLogP2.43
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.32
LogP ≤ 52.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2,10-dimethyl-2,10-dinaphthalen-1-ylundeca-4,7-dien-6-one
CID 139998268
2,2-dinaphthalen-1-yl-3-oxobutanedial
CID 140640259
3-methyl-3-naphthalen-1-ylbutanoic acid
CID 79020311
N-[2-(4-methoxy-2,3-dimethylphenyl)-2-methylpropyl]-2-oxoacetamide
CID 115166846
(2S)-2-(methylamino)-2-naphthalen-1-ylpropanal
CID 88510080
(2S)-2-amino-2-naphthalen-1-ylpropanal
CID 87513009
(2S)-2-(methylamino)-2-naphthalen-1-ylpropanoic acid
CID 66760761
(2R)-2-(methylamino)-2-naphthalen-1-ylpropanoic acid
CID 67197757
N-[2-methyl-2-(2-methyl-5-propan-2-ylphenyl)propyl]-2-oxoacetamide
CID 115166849
1-(1,1-dinaphthalen-1-ylethyl)naphthalene
CID 91541516
1-(methylamino)-2-naphthalen-1-ylpropan-2-ol
CID 62774360
3-hydroxy-3-naphthalen-1-ylbutanoic acid
CID 598604

Frequently Asked Questions

What is the IUPAC name of N-(2-methyl-2-naphthalen-1-ylpropyl)-2-oxoacetamide?
The IUPAC name of N-(2-methyl-2-naphthalen-1-ylpropyl)-2-oxoacetamide (CID 115166889) is N-(2-methyl-2-naphthalen-1-ylpropyl)-2-oxoacetamide.
What is the SMILES notation for N-(2-methyl-2-naphthalen-1-ylpropyl)-2-oxoacetamide?
The canonical SMILES for N-(2-methyl-2-naphthalen-1-ylpropyl)-2-oxoacetamide is CC(C)(CNC(=O)C=O)c1cccc2ccccc12.
What is the InChIKey of N-(2-methyl-2-naphthalen-1-ylpropyl)-2-oxoacetamide?
The InChIKey is ZHAUPUWDKIOCLJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17NO2/c1-16(2,11-17-15(19)10-18)14-9-5-7-12-6-3-4-8-13(12)14/h3-10H,11H2,1-2H3,(H,17,19).
What are the key properties of N-(2-methyl-2-naphthalen-1-ylpropyl)-2-oxoacetamide?
N-(2-methyl-2-naphthalen-1-ylpropyl)-2-oxoacetamide has a molecular weight of 255.32 g/mol, XLogP of 2.43, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methyl-2-naphthalen-1-ylpropyl)-2-oxoacetamide is sourced from PubChem (CID 115166889), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).