N-[(1S)-1-naphthalen-2-ylethyl]prop-2-enamide

C15H15NO — CID 101382734

IUPACN-[(1S)-1-naphthalen-2-ylethyl]prop-2-enamide
SMILESC=CC(=O)N[C@@H](C)c1ccc2ccccc2c1
InChIInChI=1S/C15H15NO/c1-3-15(17)16-11(2)13-9-8-12-6-4-5-7-14(12)10-13/h3-11H,1H2,2H3,(H,16,17)/t11-/m0/s1
InChIKeyIICLCUCTTMCNLG-NSHDSACASA-N
MW225.29 g/mol
LogP3.20
Rot. Bonds3

About N-[(1S)-1-naphthalen-2-ylethyl]prop-2-enamide

N-[(1S)-1-naphthalen-2-ylethyl]prop-2-enamide (PubChem CID 101382734) has the molecular formula C15H15NO and a molecular weight of 225.29 g/mol. Its IUPAC name is N-[(1S)-1-naphthalen-2-ylethyl]prop-2-enamide.

Molecular Properties

Compound NameN-[(1S)-1-naphthalen-2-ylethyl]prop-2-enamide
PubChem CID101382734
Molecular FormulaC15H15NO
Molecular Weight225.29 g/mol
Exact Mass225.12
IUPAC NameN-[(1S)-1-naphthalen-2-ylethyl]prop-2-enamide
SMILESC=CC(=O)N[C@@H](C)c1ccc2ccccc2c1
InChIInChI=1S/C15H15NO/c1-3-15(17)16-11(2)13-9-8-12-6-4-5-7-14(12)10-13/h3-11H,1H2,2H3,(H,16,17)/t11-/m0/s1
InChIKeyIICLCUCTTMCNLG-NSHDSACASA-N
XLogP3.20
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.29
LogP ≤ 53.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

(E)-3-(2-methylphenyl)-N-(1-naphthalen-2-ylethyl)prop-2-enamide
CID 20744344
3-methyl-N-(1-naphthalen-2-ylethyl)but-3-enamide
CID 145167026
(E)-3-(4-chlorophenyl)-N-[(1R)-1-naphthalen-2-ylethyl]prop-2-enamide
CID 7899703
N-[(1R)-1-naphthalen-2-ylethyl]-2,2-diphenylacetamide
CID 7899729
N-(1-naphthalen-2-ylethyl)hexanamide
CID 112762295
N-[(1S)-1-(3,5-difluorophenyl)ethyl]prop-2-enamide
CID 167781770
3-(3-fluorophenyl)-N-[(1S)-1-naphthalen-2-ylethyl]prop-2-enamide
CID 91321307
N-[1-(1-methylindazol-5-yl)ethyl]prop-2-enamide
CID 166428635
tert-butyl N-(1-naphthalen-2-ylethyl)carbamate
CID 70974235
2-chloro-N-(1-naphthalen-2-ylethyl)benzamide
CID 2950656
N-[(1S)-1-(3-bromo-4-fluorophenyl)ethyl]prop-2-enamide
CID 166408346
N-[(1S)-1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethyl]prop-2-enamide
CID 129365471

Frequently Asked Questions

What is the IUPAC name of N-[(1S)-1-naphthalen-2-ylethyl]prop-2-enamide?
The IUPAC name of N-[(1S)-1-naphthalen-2-ylethyl]prop-2-enamide (CID 101382734) is N-[(1S)-1-naphthalen-2-ylethyl]prop-2-enamide.
What is the SMILES notation for N-[(1S)-1-naphthalen-2-ylethyl]prop-2-enamide?
The canonical SMILES for N-[(1S)-1-naphthalen-2-ylethyl]prop-2-enamide is C=CC(=O)N[C@@H](C)c1ccc2ccccc2c1.
What is the InChIKey of N-[(1S)-1-naphthalen-2-ylethyl]prop-2-enamide?
The InChIKey is IICLCUCTTMCNLG-NSHDSACASA-N. The full InChI is InChI=1S/C15H15NO/c1-3-15(17)16-11(2)13-9-8-12-6-4-5-7-14(12)10-13/h3-11H,1H2,2H3,(H,16,17)/t11-/m0/s1.
What are the key properties of N-[(1S)-1-naphthalen-2-ylethyl]prop-2-enamide?
N-[(1S)-1-naphthalen-2-ylethyl]prop-2-enamide has a molecular weight of 225.29 g/mol, XLogP of 3.20, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1S)-1-naphthalen-2-ylethyl]prop-2-enamide is sourced from PubChem (CID 101382734), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).