(E)-3-naphthalen-1-yl-N-prop-2-enylprop-2-enamide

C16H15NO — CID 6233082

IUPAC(E)-3-naphthalen-1-yl-N-prop-2-enylprop-2-enamide
SMILESC=CCNC(=O)/C=C/c1cccc2ccccc12
InChIInChI=1S/C16H15NO/c1-2-12-17-16(18)11-10-14-8-5-7-13-6-3-4-9-15(13)14/h2-11H,1,12H2,(H,17,18)/b11-10+
InChIKeyVYDFJMDJISQLDP-ZHACJKMWSA-N
MW237.30 g/mol
LogP3.16
Rot. Bonds4

About (E)-3-naphthalen-1-yl-N-prop-2-enylprop-2-enamide

(E)-3-naphthalen-1-yl-N-prop-2-enylprop-2-enamide (PubChem CID 6233082) has the molecular formula C16H15NO and a molecular weight of 237.30 g/mol. Its IUPAC name is (E)-3-naphthalen-1-yl-N-prop-2-enylprop-2-enamide.

Molecular Properties

Compound Name(E)-3-naphthalen-1-yl-N-prop-2-enylprop-2-enamide
PubChem CID6233082
Molecular FormulaC16H15NO
Molecular Weight237.30 g/mol
Exact Mass237.12
IUPAC Name(E)-3-naphthalen-1-yl-N-prop-2-enylprop-2-enamide
SMILESC=CCNC(=O)/C=C/c1cccc2ccccc12
InChIInChI=1S/C16H15NO/c1-2-12-17-16(18)11-10-14-8-5-7-13-6-3-4-9-15(13)14/h2-11H,1,12H2,(H,17,18)/b11-10+
InChIKeyVYDFJMDJISQLDP-ZHACJKMWSA-N
XLogP3.16
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.30
LogP ≤ 53.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

2-[[(E)-3-naphthalen-1-ylprop-2-enoyl]amino]-N-prop-2-enylbenzamide
CID 6233859
3-naphthalen-1-yl-N-[2-(3-naphthalen-1-ylprop-2-enoylamino)phenyl]prop-2-enamide
CID 4233655
3-naphthalen-1-yl-N-[4-(prop-2-enylsulfamoyl)phenyl]prop-2-enamide
CID 4929850
(1E)-1-naphthalen-1-ylpenta-1,4-dien-3-one
CID 21417039
(E)-N-(4-hydroxyphenyl)-3-naphthalen-1-ylprop-2-enamide
CID 102534918
(E)-3-[2-(difluoromethoxy)-3-methoxyphenyl]-N-prop-2-enylprop-2-enamide
CID 9207550
(E)-3-naphthalen-1-yl-N-(3-phenylprop-2-ynyl)prop-2-enamide
CID 24669101
N-[4-[(E)-3-naphthalen-1-ylprop-2-enoyl]phenyl]prop-2-enamide
CID 101136088
N-(4-methoxyphenyl)-3-naphthalen-1-ylprop-2-enamide
CID 680988
methyl 6-(3-naphthalen-1-ylprop-2-enoylamino)hexanoate
CID 66958409
3-naphthalen-1-yl-N-(4-phenyldiazenylphenyl)prop-2-enamide
CID 5177921
2-naphthalen-1-yl-N-prop-2-enylacetamide
CID 60636686

Frequently Asked Questions

What is the IUPAC name of (E)-3-naphthalen-1-yl-N-prop-2-enylprop-2-enamide?
The IUPAC name of (E)-3-naphthalen-1-yl-N-prop-2-enylprop-2-enamide (CID 6233082) is (E)-3-naphthalen-1-yl-N-prop-2-enylprop-2-enamide.
What is the SMILES notation for (E)-3-naphthalen-1-yl-N-prop-2-enylprop-2-enamide?
The canonical SMILES for (E)-3-naphthalen-1-yl-N-prop-2-enylprop-2-enamide is C=CCNC(=O)/C=C/c1cccc2ccccc12.
What is the InChIKey of (E)-3-naphthalen-1-yl-N-prop-2-enylprop-2-enamide?
The InChIKey is VYDFJMDJISQLDP-ZHACJKMWSA-N. The full InChI is InChI=1S/C16H15NO/c1-2-12-17-16(18)11-10-14-8-5-7-13-6-3-4-9-15(13)14/h2-11H,1,12H2,(H,17,18)/b11-10+.
What are the key properties of (E)-3-naphthalen-1-yl-N-prop-2-enylprop-2-enamide?
(E)-3-naphthalen-1-yl-N-prop-2-enylprop-2-enamide has a molecular weight of 237.30 g/mol, XLogP of 3.16, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-3-naphthalen-1-yl-N-prop-2-enylprop-2-enamide is sourced from PubChem (CID 6233082), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).