(Z)-3-(tert-butylamino)-1-naphthalen-1-ylprop-2-en-1-one

C17H19NO — CID 58582610

IUPAC(Z)-3-(tert-butylamino)-1-naphthalen-1-ylprop-2-en-1-one
SMILESCC(C)(C)N/C=C\C(=O)c1cccc2ccccc12
InChIInChI=1S/C17H19NO/c1-17(2,3)18-12-11-16(19)15-10-6-8-13-7-4-5-9-14(13)15/h4-12,18H,1-3H3/b12-11-
InChIKeyLXJBGUCHWANENO-QXMHVHEDSA-N
MW253.35 g/mol
LogP3.92
Rot. Bonds3

About (Z)-3-(tert-butylamino)-1-naphthalen-1-ylprop-2-en-1-one

(Z)-3-(tert-butylamino)-1-naphthalen-1-ylprop-2-en-1-one (PubChem CID 58582610) has the molecular formula C17H19NO and a molecular weight of 253.35 g/mol. Its IUPAC name is (Z)-3-(tert-butylamino)-1-naphthalen-1-ylprop-2-en-1-one.

Molecular Properties

Compound Name(Z)-3-(tert-butylamino)-1-naphthalen-1-ylprop-2-en-1-one
PubChem CID58582610
Molecular FormulaC17H19NO
Molecular Weight253.35 g/mol
Exact Mass253.15
IUPAC Name(Z)-3-(tert-butylamino)-1-naphthalen-1-ylprop-2-en-1-one
SMILESCC(C)(C)N/C=C\C(=O)c1cccc2ccccc12
InChIInChI=1S/C17H19NO/c1-17(2,3)18-12-11-16(19)15-10-6-8-13-7-4-5-9-14(13)15/h4-12,18H,1-3H3/b12-11-
InChIKeyLXJBGUCHWANENO-QXMHVHEDSA-N
XLogP3.92
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.35
LogP ≤ 53.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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)-4,4,4-trifluoro-1-naphthalen-1-ylbut-2-en-1-one
CID 101484406
(Z)-3-(2-chloroanilino)-1-naphthalen-1-ylprop-2-en-1-one
CID 58582647
3-methyl-4-[[(E)-3-naphthalen-1-yl-3-oxoprop-1-enyl]amino]benzoic acid
CID 126186117
(2E,4Z)-1-naphthalen-1-ylhepta-2,4-dien-1-one
CID 139259985
(E)-3-(3-fluoroanilino)-1-naphthalen-1-ylprop-2-en-1-one
CID 126184239
(E)-3-[3-[(1R)-1-hydroxyethyl]anilino]-1-naphthalen-1-ylprop-2-en-1-one
CID 126187703
(E)-3-(2-methoxy-5-methylanilino)-1-naphthalen-1-ylprop-2-en-1-one
CID 126186705
ethyl 4-[[(E)-3-naphthalen-1-yl-3-oxoprop-1-enyl]amino]benzoate
CID 126182646
(E)-3-(2,4-difluoroanilino)-1-naphthalen-1-ylprop-2-en-1-one
CID 126187125
(E)-1-naphthalen-1-yl-5-phenylpent-2-en-4-yn-1-one
CID 122385874
(E)-N-(2-ethylphenyl)-4-naphthalen-1-yl-4-oxobut-2-enamide
CID 134086602

Frequently Asked Questions

What is the IUPAC name of (Z)-3-(tert-butylamino)-1-naphthalen-1-ylprop-2-en-1-one?
The IUPAC name of (Z)-3-(tert-butylamino)-1-naphthalen-1-ylprop-2-en-1-one (CID 58582610) is (Z)-3-(tert-butylamino)-1-naphthalen-1-ylprop-2-en-1-one.
What is the SMILES notation for (Z)-3-(tert-butylamino)-1-naphthalen-1-ylprop-2-en-1-one?
The canonical SMILES for (Z)-3-(tert-butylamino)-1-naphthalen-1-ylprop-2-en-1-one is CC(C)(C)N/C=C\C(=O)c1cccc2ccccc12.
What is the InChIKey of (Z)-3-(tert-butylamino)-1-naphthalen-1-ylprop-2-en-1-one?
The InChIKey is LXJBGUCHWANENO-QXMHVHEDSA-N. The full InChI is InChI=1S/C17H19NO/c1-17(2,3)18-12-11-16(19)15-10-6-8-13-7-4-5-9-14(13)15/h4-12,18H,1-3H3/b12-11-.
What are the key properties of (Z)-3-(tert-butylamino)-1-naphthalen-1-ylprop-2-en-1-one?
(Z)-3-(tert-butylamino)-1-naphthalen-1-ylprop-2-en-1-one has a molecular weight of 253.35 g/mol, XLogP of 3.92, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-3-(tert-butylamino)-1-naphthalen-1-ylprop-2-en-1-one is sourced from PubChem (CID 58582610), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).