(E)-3-[3-[(1R)-1-hydroxyethyl]anilino]-1-naphthalen-1-ylprop-2-en-1-one

C21H19NO2 — CID 126187703

IUPAC(E)-3-[3-[(1R)-1-hydroxyethyl]anilino]-1-naphthalen-1-ylprop-2-en-1-one
SMILESC[C@@H](O)c1cccc(N/C=C/C(=O)c2cccc3ccccc23)c1
InChIInChI=1S/C21H19NO2/c1-15(23)17-8-4-9-18(14-17)22-13-12-21(24)20-11-5-7-16-6-2-3-10-19(16)20/h2-15,22-23H,1H3/b13-12+/t15-/m1/s1
InChIKeyACWMDRYEVJRPLS-RDRICISKSA-N
MW317.39 g/mol
LogP4.70
Rot. Bonds5

About (E)-3-[3-[(1R)-1-hydroxyethyl]anilino]-1-naphthalen-1-ylprop-2-en-1-one

(E)-3-[3-[(1R)-1-hydroxyethyl]anilino]-1-naphthalen-1-ylprop-2-en-1-one (PubChem CID 126187703) has the molecular formula C21H19NO2 and a molecular weight of 317.39 g/mol. Its IUPAC name is (E)-3-[3-[(1R)-1-hydroxyethyl]anilino]-1-naphthalen-1-ylprop-2-en-1-one.

Molecular Properties

Compound Name(E)-3-[3-[(1R)-1-hydroxyethyl]anilino]-1-naphthalen-1-ylprop-2-en-1-one
PubChem CID126187703
Molecular FormulaC21H19NO2
Molecular Weight317.39 g/mol
Exact Mass317.14
IUPAC Name(E)-3-[3-[(1R)-1-hydroxyethyl]anilino]-1-naphthalen-1-ylprop-2-en-1-one
SMILESC[C@@H](O)c1cccc(N/C=C/C(=O)c2cccc3ccccc23)c1
InChIInChI=1S/C21H19NO2/c1-15(23)17-8-4-9-18(14-17)22-13-12-21(24)20-11-5-7-16-6-2-3-10-19(16)20/h2-15,22-23H,1H3/b13-12+/t15-/m1/s1
InChIKeyACWMDRYEVJRPLS-RDRICISKSA-N
XLogP4.70
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.39
LogP ≤ 54.70
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

(E)-3-(3-methylanilino)-1-naphthalen-1-ylprop-2-en-1-one
CID 126185289
(E)-3-(3-fluoroanilino)-1-naphthalen-1-ylprop-2-en-1-one
CID 126184239
ethyl 4-[[(E)-3-naphthalen-1-yl-3-oxoprop-1-enyl]amino]benzoate
CID 126182646
(Z)-3-(tert-butylamino)-1-naphthalen-1-ylprop-2-en-1-one
CID 58582610
(Z)-3-(2-chloroanilino)-1-naphthalen-1-ylprop-2-en-1-one
CID 58582647
(E)-3-(2,4-difluoroanilino)-1-naphthalen-1-ylprop-2-en-1-one
CID 126187125
3-methyl-4-[[(E)-3-naphthalen-1-yl-3-oxoprop-1-enyl]amino]benzoic acid
CID 126186117
(E)-3-(2-methoxy-5-methylanilino)-1-naphthalen-1-ylprop-2-en-1-one
CID 126186705
1-[3-(1-hydroxyethyl)phenyl]-2-naphthalen-1-ylguanidine
CID 18751970
(2E,4Z)-1-naphthalen-1-ylhepta-2,4-dien-1-one
CID 139259985
2-ethoxy-N-[3-(1-hydroxyethyl)phenyl]benzamide
CID 43508405
2-benzoyl-N-[3-(1-hydroxyethyl)phenyl]benzamide
CID 11841462

Frequently Asked Questions

What is the IUPAC name of (E)-3-[3-[(1R)-1-hydroxyethyl]anilino]-1-naphthalen-1-ylprop-2-en-1-one?
The IUPAC name of (E)-3-[3-[(1R)-1-hydroxyethyl]anilino]-1-naphthalen-1-ylprop-2-en-1-one (CID 126187703) is (E)-3-[3-[(1R)-1-hydroxyethyl]anilino]-1-naphthalen-1-ylprop-2-en-1-one.
What is the SMILES notation for (E)-3-[3-[(1R)-1-hydroxyethyl]anilino]-1-naphthalen-1-ylprop-2-en-1-one?
The canonical SMILES for (E)-3-[3-[(1R)-1-hydroxyethyl]anilino]-1-naphthalen-1-ylprop-2-en-1-one is C[C@@H](O)c1cccc(N/C=C/C(=O)c2cccc3ccccc23)c1.
What is the InChIKey of (E)-3-[3-[(1R)-1-hydroxyethyl]anilino]-1-naphthalen-1-ylprop-2-en-1-one?
The InChIKey is ACWMDRYEVJRPLS-RDRICISKSA-N. The full InChI is InChI=1S/C21H19NO2/c1-15(23)17-8-4-9-18(14-17)22-13-12-21(24)20-11-5-7-16-6-2-3-10-19(16)20/h2-15,22-23H,1H3/b13-12+/t15-/m1/s1.
What are the key properties of (E)-3-[3-[(1R)-1-hydroxyethyl]anilino]-1-naphthalen-1-ylprop-2-en-1-one?
(E)-3-[3-[(1R)-1-hydroxyethyl]anilino]-1-naphthalen-1-ylprop-2-en-1-one has a molecular weight of 317.39 g/mol, XLogP of 4.70, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-3-[3-[(1R)-1-hydroxyethyl]anilino]-1-naphthalen-1-ylprop-2-en-1-one is sourced from PubChem (CID 126187703), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).