N-[2-(7-hydroxynaphthalen-1-yl)ethyl]but-3-enamide

C16H17NO2 — CID 18007990

IUPACN-[2-(7-hydroxynaphthalen-1-yl)ethyl]but-3-enamide
SMILESC=CCC(=O)NCCc1cccc2ccc(O)cc12
InChIInChI=1S/C16H17NO2/c1-2-4-16(19)17-10-9-13-6-3-5-12-7-8-14(18)11-15(12)13/h2-3,5-8,11,18H,1,4,9-10H2,(H,17,19)
InChIKeyKXFDSFNLNANUGU-UHFFFAOYSA-N
MW255.32 g/mol
LogP2.78
Rot. Bonds5

About N-[2-(7-hydroxynaphthalen-1-yl)ethyl]but-3-enamide

N-[2-(7-hydroxynaphthalen-1-yl)ethyl]but-3-enamide (PubChem CID 18007990) has the molecular formula C16H17NO2 and a molecular weight of 255.32 g/mol. Its IUPAC name is N-[2-(7-hydroxynaphthalen-1-yl)ethyl]but-3-enamide.

Molecular Properties

Compound NameN-[2-(7-hydroxynaphthalen-1-yl)ethyl]but-3-enamide
PubChem CID18007990
Molecular FormulaC16H17NO2
Molecular Weight255.32 g/mol
Exact Mass255.13
IUPAC NameN-[2-(7-hydroxynaphthalen-1-yl)ethyl]but-3-enamide
SMILESC=CCC(=O)NCCc1cccc2ccc(O)cc12
InChIInChI=1S/C16H17NO2/c1-2-4-16(19)17-10-9-13-6-3-5-12-7-8-14(18)11-15(12)13/h2-3,5-8,11,18H,1,4,9-10H2,(H,17,19)
InChIKeyKXFDSFNLNANUGU-UHFFFAOYSA-N
XLogP2.78
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.32
LogP ≤ 52.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

Agomelatine
CID 82148
Paprazine
CID 5372945
N-trans-Cinnamoyltyramine
CID 5315911
Propanamide, N-(2-(7-methoxy-1-naphthalenyl)ethyl)-
CID 3071631
Butanamide, N-(2-(7-methoxy-1-naphthalenyl)ethyl)-
CID 3071652
(Hydroxymethylphenyl)agomelatine
CID 9798456
N-cyclopropylcarbonyl-2-(7-methoxy-1-naphthyl)ethylamine
CID 164405
Propanamide, N-(2-(7-methoxy-1-naphthalenyl)ethyl)-2-methyl-
CID 3071630
Pentanamide, N-(2-(7-methoxy-1-naphthalenyl)ethyl)-
CID 3071632
Cyclobutanecarboxamide, N-(2-(7-methoxy-1-naphthalenyl)ethyl)-
CID 3071658
Isoamyl-agomelatine
CID 57381997
5-(Aminomethyl)naphthalen-2-ol
CID 44352201

Frequently Asked Questions

What is the IUPAC name of N-[2-(7-hydroxynaphthalen-1-yl)ethyl]but-3-enamide?
The IUPAC name of N-[2-(7-hydroxynaphthalen-1-yl)ethyl]but-3-enamide (CID 18007990) is N-[2-(7-hydroxynaphthalen-1-yl)ethyl]but-3-enamide.
What is the SMILES notation for N-[2-(7-hydroxynaphthalen-1-yl)ethyl]but-3-enamide?
The canonical SMILES for N-[2-(7-hydroxynaphthalen-1-yl)ethyl]but-3-enamide is C=CCC(=O)NCCc1cccc2ccc(O)cc12.
What is the InChIKey of N-[2-(7-hydroxynaphthalen-1-yl)ethyl]but-3-enamide?
The InChIKey is KXFDSFNLNANUGU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17NO2/c1-2-4-16(19)17-10-9-13-6-3-5-12-7-8-14(18)11-15(12)13/h2-3,5-8,11,18H,1,4,9-10H2,(H,17,19).
What are the key properties of N-[2-(7-hydroxynaphthalen-1-yl)ethyl]but-3-enamide?
N-[2-(7-hydroxynaphthalen-1-yl)ethyl]but-3-enamide has a molecular weight of 255.32 g/mol, XLogP of 2.78, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(7-hydroxynaphthalen-1-yl)ethyl]but-3-enamide is sourced from PubChem (CID 18007990), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).