N-[2-[(2-hydroxy-3,4-dihydro-1H-naphthalen-2-yl)methylamino]-2-oxoethyl]-N-methylprop-2-enamide

C17H22N2O3 — CID 166410627

IUPACN-[2-[(2-hydroxy-3,4-dihydro-1H-naphthalen-2-yl)methylamino]-2-oxoethyl]-N-methylprop-2-enamide
SMILESC=CC(=O)N(C)CC(=O)NCC1(O)CCc2ccccc2C1
InChIInChI=1S/C17H22N2O3/c1-3-16(21)19(2)11-15(20)18-12-17(22)9-8-13-6-4-5-7-14(13)10-17/h3-7,22H,1,8-12H2,2H3,(H,18,20)
InChIKeyINLFLNAHUDNOEE-UHFFFAOYSA-N
MW302.37 g/mol
LogP0.67
Rot. Bonds5

About N-[2-[(2-hydroxy-3,4-dihydro-1H-naphthalen-2-yl)methylamino]-2-oxoethyl]-N-methylprop-2-enamide

N-[2-[(2-hydroxy-3,4-dihydro-1H-naphthalen-2-yl)methylamino]-2-oxoethyl]-N-methylprop-2-enamide (PubChem CID 166410627) has the molecular formula C17H22N2O3 and a molecular weight of 302.37 g/mol. Its IUPAC name is N-[2-[(2-hydroxy-3,4-dihydro-1H-naphthalen-2-yl)methylamino]-2-oxoethyl]-N-methylprop-2-enamide.

Molecular Properties

Compound NameN-[2-[(2-hydroxy-3,4-dihydro-1H-naphthalen-2-yl)methylamino]-2-oxoethyl]-N-methylprop-2-enamide
PubChem CID166410627
Molecular FormulaC17H22N2O3
Molecular Weight302.37 g/mol
Exact Mass302.16
IUPAC NameN-[2-[(2-hydroxy-3,4-dihydro-1H-naphthalen-2-yl)methylamino]-2-oxoethyl]-N-methylprop-2-enamide
SMILESC=CC(=O)N(C)CC(=O)NCC1(O)CCc2ccccc2C1
InChIInChI=1S/C17H22N2O3/c1-3-16(21)19(2)11-15(20)18-12-17(22)9-8-13-6-4-5-7-14(13)10-17/h3-7,22H,1,8-12H2,2H3,(H,18,20)
InChIKeyINLFLNAHUDNOEE-UHFFFAOYSA-N
XLogP0.67
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.37
LogP ≤ 50.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-[2-[(2-hydroxy-3,4-dihydro-1H-naphthalen-2-yl)methylamino]-2-oxoethyl]-N-methylprop-2-enamide?
The IUPAC name of N-[2-[(2-hydroxy-3,4-dihydro-1H-naphthalen-2-yl)methylamino]-2-oxoethyl]-N-methylprop-2-enamide (CID 166410627) is N-[2-[(2-hydroxy-3,4-dihydro-1H-naphthalen-2-yl)methylamino]-2-oxoethyl]-N-methylprop-2-enamide.
What is the SMILES notation for N-[2-[(2-hydroxy-3,4-dihydro-1H-naphthalen-2-yl)methylamino]-2-oxoethyl]-N-methylprop-2-enamide?
The canonical SMILES for N-[2-[(2-hydroxy-3,4-dihydro-1H-naphthalen-2-yl)methylamino]-2-oxoethyl]-N-methylprop-2-enamide is C=CC(=O)N(C)CC(=O)NCC1(O)CCc2ccccc2C1.
What is the InChIKey of N-[2-[(2-hydroxy-3,4-dihydro-1H-naphthalen-2-yl)methylamino]-2-oxoethyl]-N-methylprop-2-enamide?
The InChIKey is INLFLNAHUDNOEE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N2O3/c1-3-16(21)19(2)11-15(20)18-12-17(22)9-8-13-6-4-5-7-14(13)10-17/h3-7,22H,1,8-12H2,2H3,(H,18,20).
What are the key properties of N-[2-[(2-hydroxy-3,4-dihydro-1H-naphthalen-2-yl)methylamino]-2-oxoethyl]-N-methylprop-2-enamide?
N-[2-[(2-hydroxy-3,4-dihydro-1H-naphthalen-2-yl)methylamino]-2-oxoethyl]-N-methylprop-2-enamide has a molecular weight of 302.37 g/mol, XLogP of 0.67, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[(2-hydroxy-3,4-dihydro-1H-naphthalen-2-yl)methylamino]-2-oxoethyl]-N-methylprop-2-enamide is sourced from PubChem (CID 166410627), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).