N-[4-(7-hydroxynaphthalen-2-yl)but-3-enyl]acetamide

C16H17NO2 — CID 170489391

IUPACN-[4-(7-hydroxynaphthalen-2-yl)but-3-enyl]acetamide
SMILESCC(=O)NCCC=Cc1ccc2ccc(O)cc2c1
InChIInChI=1S/C16H17NO2/c1-12(18)17-9-3-2-4-13-5-6-14-7-8-16(19)11-15(14)10-13/h2,4-8,10-11,19H,3,9H2,1H3,(H,17,18)
InChIKeyMDHKNNPEQRILNP-UHFFFAOYSA-N
MW255.32 g/mol
LogP3.08
Rot. Bonds4

About N-[4-(7-hydroxynaphthalen-2-yl)but-3-enyl]acetamide

N-[4-(7-hydroxynaphthalen-2-yl)but-3-enyl]acetamide (PubChem CID 170489391) has the molecular formula C16H17NO2 and a molecular weight of 255.32 g/mol. Its IUPAC name is N-[4-(7-hydroxynaphthalen-2-yl)but-3-enyl]acetamide.

Molecular Properties

Compound NameN-[4-(7-hydroxynaphthalen-2-yl)but-3-enyl]acetamide
PubChem CID170489391
Molecular FormulaC16H17NO2
Molecular Weight255.32 g/mol
Exact Mass255.13
IUPAC NameN-[4-(7-hydroxynaphthalen-2-yl)but-3-enyl]acetamide
SMILESCC(=O)NCCC=Cc1ccc2ccc(O)cc2c1
InChIInChI=1S/C16H17NO2/c1-12(18)17-9-3-2-4-13-5-6-14-7-8-16(19)11-15(14)10-13/h2,4-8,10-11,19H,3,9H2,1H3,(H,17,18)
InChIKeyMDHKNNPEQRILNP-UHFFFAOYSA-N
XLogP3.08
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.32
LogP ≤ 53.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-[4-(3-amino-4-hydroxyphenyl)but-3-enyl]acetamide
CID 170488438
N-[4-(1H-indol-5-yl)but-3-enyl]acetamide
CID 170488817
N-[4-(1H-indol-6-yl)but-3-enyl]acetamide
CID 170488820
N-[4-(3-amino-4-methylphenyl)but-3-enyl]acetamide
CID 170488388
N-[4-(4-sulfanylphenyl)but-3-enyl]acetamide
CID 170488071
N-[4-(3-fluoro-4-methylphenyl)but-3-enyl]acetamide
CID 170488192
N-[4-(4-ethylphenyl)but-3-enyl]acetamide
CID 170488200
N-[4-(3-methylphenyl)but-3-enyl]acetamide
CID 170488073
N-[4-[4-(chloromethyl)phenyl]but-3-enyl]acetamide
CID 170488172
N-[4-(3-propan-2-ylphenyl)but-3-enyl]acetamide
CID 170488487
N-[4-[4-(hydrazinecarbonyl)phenyl]but-3-enyl]acetamide
CID 170489043
methyl 5-(4-acetamidobut-1-enyl)-2-methylbenzoate
CID 170489218

Frequently Asked Questions

What is the IUPAC name of N-[4-(7-hydroxynaphthalen-2-yl)but-3-enyl]acetamide?
The IUPAC name of N-[4-(7-hydroxynaphthalen-2-yl)but-3-enyl]acetamide (CID 170489391) is N-[4-(7-hydroxynaphthalen-2-yl)but-3-enyl]acetamide.
What is the SMILES notation for N-[4-(7-hydroxynaphthalen-2-yl)but-3-enyl]acetamide?
The canonical SMILES for N-[4-(7-hydroxynaphthalen-2-yl)but-3-enyl]acetamide is CC(=O)NCCC=Cc1ccc2ccc(O)cc2c1.
What is the InChIKey of N-[4-(7-hydroxynaphthalen-2-yl)but-3-enyl]acetamide?
The InChIKey is MDHKNNPEQRILNP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17NO2/c1-12(18)17-9-3-2-4-13-5-6-14-7-8-16(19)11-15(14)10-13/h2,4-8,10-11,19H,3,9H2,1H3,(H,17,18).
What are the key properties of N-[4-(7-hydroxynaphthalen-2-yl)but-3-enyl]acetamide?
N-[4-(7-hydroxynaphthalen-2-yl)but-3-enyl]acetamide has a molecular weight of 255.32 g/mol, XLogP of 3.08, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(7-hydroxynaphthalen-2-yl)but-3-enyl]acetamide is sourced from PubChem (CID 170489391), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).