3-methyl-N-(naphthalen-2-ylmethyl)pent-2-enamide

C17H19NO — CID 175919699

IUPAC3-methyl-N-(naphthalen-2-ylmethyl)pent-2-enamide
SMILESCCC(C)=CC(=O)NCc1ccc2ccccc2c1
InChIInChI=1S/C17H19NO/c1-3-13(2)10-17(19)18-12-14-8-9-15-6-4-5-7-16(15)11-14/h4-11H,3,12H2,1-2H3,(H,18,19)
InChIKeyOMOMKFIRRULERG-UHFFFAOYSA-N
MW253.34 g/mol
LogP3.81
Rot. Bonds4

About 3-methyl-N-(naphthalen-2-ylmethyl)pent-2-enamide

3-methyl-N-(naphthalen-2-ylmethyl)pent-2-enamide (PubChem CID 175919699) has the molecular formula C17H19NO and a molecular weight of 253.34 g/mol. Its IUPAC name is 3-methyl-N-(naphthalen-2-ylmethyl)pent-2-enamide.

Molecular Properties

Compound Name3-methyl-N-(naphthalen-2-ylmethyl)pent-2-enamide
PubChem CID175919699
Molecular FormulaC17H19NO
Molecular Weight253.34 g/mol
Exact Mass253.15
IUPAC Name3-methyl-N-(naphthalen-2-ylmethyl)pent-2-enamide
SMILESCCC(C)=CC(=O)NCc1ccc2ccccc2c1
InChIInChI=1S/C17H19NO/c1-3-13(2)10-17(19)18-12-14-8-9-15-6-4-5-7-16(15)11-14/h4-11H,3,12H2,1-2H3,(H,18,19)
InChIKeyOMOMKFIRRULERG-UHFFFAOYSA-N
XLogP3.81
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.34
LogP ≤ 53.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

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1-ethyl-3-(naphthalen-2-ylmethylamino)urea
CID 87622350
1,2-dimethyl-3-(naphthalen-2-ylmethyl)guanidine;hydroiodide
CID 110918471
(4S)-4-methyl-5-(naphthalen-2-ylmethylamino)-5-oxopentanethioic S-acid
CID 156702494
1-[(2S)-4-methylsulfonylbutan-2-yl]-3-(naphthalen-2-ylmethyl)urea
CID 97227616
naphthalen-2-ylmethyl propanoate;hydrochloride
CID 174398920
4-[[3-[(3-carboxybut-2-enoylamino)methyl]phenyl]methylamino]-2-methyl-4-oxobut-2-enoic acid
CID 54370185
1-(3-hydroxybutyl)-3-(naphthalen-2-ylmethyl)urea
CID 111337415
1-benzyl-2-methyl-3-(naphthalen-2-ylmethyl)guanidine
CID 110952320
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CID 68703244

Frequently Asked Questions

What is the IUPAC name of 3-methyl-N-(naphthalen-2-ylmethyl)pent-2-enamide?
The IUPAC name of 3-methyl-N-(naphthalen-2-ylmethyl)pent-2-enamide (CID 175919699) is 3-methyl-N-(naphthalen-2-ylmethyl)pent-2-enamide.
What is the SMILES notation for 3-methyl-N-(naphthalen-2-ylmethyl)pent-2-enamide?
The canonical SMILES for 3-methyl-N-(naphthalen-2-ylmethyl)pent-2-enamide is CCC(C)=CC(=O)NCc1ccc2ccccc2c1.
What is the InChIKey of 3-methyl-N-(naphthalen-2-ylmethyl)pent-2-enamide?
The InChIKey is OMOMKFIRRULERG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19NO/c1-3-13(2)10-17(19)18-12-14-8-9-15-6-4-5-7-16(15)11-14/h4-11H,3,12H2,1-2H3,(H,18,19).
What are the key properties of 3-methyl-N-(naphthalen-2-ylmethyl)pent-2-enamide?
3-methyl-N-(naphthalen-2-ylmethyl)pent-2-enamide has a molecular weight of 253.34 g/mol, XLogP of 3.81, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-N-(naphthalen-2-ylmethyl)pent-2-enamide is sourced from PubChem (CID 175919699), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).