N-[2-[[(1S)-3-hydroxy-1-naphthalen-1-ylpropyl]amino]-2-oxoethyl]-N-methylprop-2-enamide

C19H22N2O3 — CID 166411654

IUPACN-[2-[[(1S)-3-hydroxy-1-naphthalen-1-ylpropyl]amino]-2-oxoethyl]-N-methylprop-2-enamide
SMILESC=CC(=O)N(C)CC(=O)N[C@@H](CCO)c1cccc2ccccc12
InChIInChI=1S/C19H22N2O3/c1-3-19(24)21(2)13-18(23)20-17(11-12-22)16-10-6-8-14-7-4-5-9-15(14)16/h3-10,17,22H,1,11-13H2,2H3,(H,20,23)/t17-/m0/s1
InChIKeyOPKSFPKYBZVYKG-KRWDZBQOSA-N
MW326.40 g/mol
LogP2.02
Rot. Bonds7

About N-[2-[[(1S)-3-hydroxy-1-naphthalen-1-ylpropyl]amino]-2-oxoethyl]-N-methylprop-2-enamide

N-[2-[[(1S)-3-hydroxy-1-naphthalen-1-ylpropyl]amino]-2-oxoethyl]-N-methylprop-2-enamide (PubChem CID 166411654) has the molecular formula C19H22N2O3 and a molecular weight of 326.40 g/mol. Its IUPAC name is N-[2-[[(1S)-3-hydroxy-1-naphthalen-1-ylpropyl]amino]-2-oxoethyl]-N-methylprop-2-enamide.

Molecular Properties

Compound NameN-[2-[[(1S)-3-hydroxy-1-naphthalen-1-ylpropyl]amino]-2-oxoethyl]-N-methylprop-2-enamide
PubChem CID166411654
Molecular FormulaC19H22N2O3
Molecular Weight326.40 g/mol
Exact Mass326.16
IUPAC NameN-[2-[[(1S)-3-hydroxy-1-naphthalen-1-ylpropyl]amino]-2-oxoethyl]-N-methylprop-2-enamide
SMILESC=CC(=O)N(C)CC(=O)N[C@@H](CCO)c1cccc2ccccc12
InChIInChI=1S/C19H22N2O3/c1-3-19(24)21(2)13-18(23)20-17(11-12-22)16-10-6-8-14-7-4-5-9-15(14)16/h3-10,17,22H,1,11-13H2,2H3,(H,20,23)/t17-/m0/s1
InChIKeyOPKSFPKYBZVYKG-KRWDZBQOSA-N
XLogP2.02
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.40
LogP ≤ 52.02
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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Related Compounds

N-[(1R)-1-naphthalen-1-ylbutyl]acetamide
CID 101232635
N,N'-bis(2-hydroxy-1-naphthalen-1-ylethyl)oxamide
CID 23140892
5-hydroxy-N-(1-naphthalen-1-ylethyl)pentanamide
CID 79199719
N-(1-naphthalen-1-ylethyl)propanamide
CID 13202765
2-[benzenesulfonyl(methyl)amino]-N-(1-naphthalen-1-ylethyl)acetamide
CID 46404019
(1S)-1-naphthalen-1-ylpropane-1,3-diol
CID 154706330
N'-(1-naphthalen-1-ylethyl)-N-[(1S)-1-naphthalen-1-ylethyl]oxamide
CID 90809930
2-[(4-fluorophenyl)methyl-methylamino]-N-(1-naphthalen-1-ylethyl)acetamide
CID 55411329
2-[methyl(7H-purin-6-yl)amino]-N-(1-naphthalen-1-ylpropyl)acetamide
CID 154878424
(2S)-2-[[2-[benzoyl(methyl)amino]acetyl]amino]-4-hydroxybutanoic acid
CID 107821764
N'-(3-amino-3-naphthalen-1-ylpropyl)-N'-methyl-1-naphthalen-1-ylpropane-1,3-diamine
CID 57188438
1-(dimethylamino)-3-methyl-1-naphthalen-1-ylbutan-2-one;methane
CID 157116142

Frequently Asked Questions

What is the IUPAC name of N-[2-[[(1S)-3-hydroxy-1-naphthalen-1-ylpropyl]amino]-2-oxoethyl]-N-methylprop-2-enamide?
The IUPAC name of N-[2-[[(1S)-3-hydroxy-1-naphthalen-1-ylpropyl]amino]-2-oxoethyl]-N-methylprop-2-enamide (CID 166411654) is N-[2-[[(1S)-3-hydroxy-1-naphthalen-1-ylpropyl]amino]-2-oxoethyl]-N-methylprop-2-enamide.
What is the SMILES notation for N-[2-[[(1S)-3-hydroxy-1-naphthalen-1-ylpropyl]amino]-2-oxoethyl]-N-methylprop-2-enamide?
The canonical SMILES for N-[2-[[(1S)-3-hydroxy-1-naphthalen-1-ylpropyl]amino]-2-oxoethyl]-N-methylprop-2-enamide is C=CC(=O)N(C)CC(=O)N[C@@H](CCO)c1cccc2ccccc12.
What is the InChIKey of N-[2-[[(1S)-3-hydroxy-1-naphthalen-1-ylpropyl]amino]-2-oxoethyl]-N-methylprop-2-enamide?
The InChIKey is OPKSFPKYBZVYKG-KRWDZBQOSA-N. The full InChI is InChI=1S/C19H22N2O3/c1-3-19(24)21(2)13-18(23)20-17(11-12-22)16-10-6-8-14-7-4-5-9-15(14)16/h3-10,17,22H,1,11-13H2,2H3,(H,20,23)/t17-/m0/s1.
What are the key properties of N-[2-[[(1S)-3-hydroxy-1-naphthalen-1-ylpropyl]amino]-2-oxoethyl]-N-methylprop-2-enamide?
N-[2-[[(1S)-3-hydroxy-1-naphthalen-1-ylpropyl]amino]-2-oxoethyl]-N-methylprop-2-enamide has a molecular weight of 326.40 g/mol, XLogP of 2.02, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[[(1S)-3-hydroxy-1-naphthalen-1-ylpropyl]amino]-2-oxoethyl]-N-methylprop-2-enamide is sourced from PubChem (CID 166411654), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).