1-naphthalen-2-yl-2-(pent-4-enylamino)ethanone

C17H19NO — CID 90693753

IUPAC1-naphthalen-2-yl-2-(pent-4-enylamino)ethanone
SMILESC=CCCCNCC(=O)c1ccc2ccccc2c1
InChIInChI=1S/C17H19NO/c1-2-3-6-11-18-13-17(19)16-10-9-14-7-4-5-8-15(14)12-16/h2,4-5,7-10,12,18H,1,3,6,11,13H2
InChIKeyCGVXGXFVFOHGEN-UHFFFAOYSA-N
MW253.35 g/mol
LogP3.58
Rot. Bonds7

About 1-naphthalen-2-yl-2-(pent-4-enylamino)ethanone

1-naphthalen-2-yl-2-(pent-4-enylamino)ethanone (PubChem CID 90693753) has the molecular formula C17H19NO and a molecular weight of 253.35 g/mol. Its IUPAC name is 1-naphthalen-2-yl-2-(pent-4-enylamino)ethanone.

Molecular Properties

Compound Name1-naphthalen-2-yl-2-(pent-4-enylamino)ethanone
PubChem CID90693753
Molecular FormulaC17H19NO
Molecular Weight253.35 g/mol
Exact Mass253.15
IUPAC Name1-naphthalen-2-yl-2-(pent-4-enylamino)ethanone
SMILESC=CCCCNCC(=O)c1ccc2ccccc2c1
InChIInChI=1S/C17H19NO/c1-2-3-6-11-18-13-17(19)16-10-9-14-7-4-5-8-15(14)12-16/h2,4-5,7-10,12,18H,1,3,6,11,13H2
InChIKeyCGVXGXFVFOHGEN-UHFFFAOYSA-N
XLogP3.58
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.35
LogP ≤ 53.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-[2-(dimethylamino)ethylamino]-1-naphthalen-2-ylethanone
CID 82101643
2-(2-morpholin-4-ylethylamino)-1-naphthalen-2-ylethanone
CID 82101636
1,4-dinaphthalen-2-ylbutane-1,4-dione
CID 593323
naphthalen-2-yl undec-10-enoate
CID 4206376
N-[4-(naphthalene-2-carbonylamino)butyl]naphthalene-2-carboxamide
CID 101181857
2-(butan-2-ylamino)-1-naphthalen-2-ylethanone
CID 82101621
2-dodec-11-enylnaphthalene
CID 101307470
CID 87197273
CID 87197273
8-hydroxy-1-naphthalen-2-yloctan-1-one
CID 23072385
7-hydroxy-1-naphthalen-2-ylheptan-1-one
CID 142086733
1-naphthalen-2-yl-2-[4-(2-naphthalen-2-yl-2-oxoacetyl)phenyl]ethane-1,2-dione
CID 10939145
dinaphthalen-2-ylmethanone
CID 10945915

Frequently Asked Questions

What is the IUPAC name of 1-naphthalen-2-yl-2-(pent-4-enylamino)ethanone?
The IUPAC name of 1-naphthalen-2-yl-2-(pent-4-enylamino)ethanone (CID 90693753) is 1-naphthalen-2-yl-2-(pent-4-enylamino)ethanone.
What is the SMILES notation for 1-naphthalen-2-yl-2-(pent-4-enylamino)ethanone?
The canonical SMILES for 1-naphthalen-2-yl-2-(pent-4-enylamino)ethanone is C=CCCCNCC(=O)c1ccc2ccccc2c1.
What is the InChIKey of 1-naphthalen-2-yl-2-(pent-4-enylamino)ethanone?
The InChIKey is CGVXGXFVFOHGEN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19NO/c1-2-3-6-11-18-13-17(19)16-10-9-14-7-4-5-8-15(14)12-16/h2,4-5,7-10,12,18H,1,3,6,11,13H2.
What are the key properties of 1-naphthalen-2-yl-2-(pent-4-enylamino)ethanone?
1-naphthalen-2-yl-2-(pent-4-enylamino)ethanone has a molecular weight of 253.35 g/mol, XLogP of 3.58, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-naphthalen-2-yl-2-(pent-4-enylamino)ethanone is sourced from PubChem (CID 90693753), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).