N-[2-(7-prop-2-ynoxynaphthalen-1-yl)ethyl]acetamide

C17H17NO2 — CID 18783019

IUPACN-[2-(7-prop-2-ynoxynaphthalen-1-yl)ethyl]acetamide
SMILESC#CCOc1ccc2cccc(CCNC(C)=O)c2c1
InChIInChI=1S/C17H17NO2/c1-3-11-20-16-8-7-14-5-4-6-15(17(14)12-16)9-10-18-13(2)19/h1,4-8,12H,9-11H2,2H3,(H,18,19)
InChIKeyHXGUNAZOQDGMJT-UHFFFAOYSA-N
MW267.33 g/mol
LogP2.53
Rot. Bonds5

About N-[2-(7-prop-2-ynoxynaphthalen-1-yl)ethyl]acetamide

N-[2-(7-prop-2-ynoxynaphthalen-1-yl)ethyl]acetamide (PubChem CID 18783019) has the molecular formula C17H17NO2 and a molecular weight of 267.33 g/mol. Its IUPAC name is N-[2-(7-prop-2-ynoxynaphthalen-1-yl)ethyl]acetamide.

Molecular Properties

Compound NameN-[2-(7-prop-2-ynoxynaphthalen-1-yl)ethyl]acetamide
PubChem CID18783019
Molecular FormulaC17H17NO2
Molecular Weight267.33 g/mol
Exact Mass267.13
IUPAC NameN-[2-(7-prop-2-ynoxynaphthalen-1-yl)ethyl]acetamide
SMILESC#CCOc1ccc2cccc(CCNC(C)=O)c2c1
InChIInChI=1S/C17H17NO2/c1-3-11-20-16-8-7-14-5-4-6-15(17(14)12-16)9-10-18-13(2)19/h1,4-8,12H,9-11H2,2H3,(H,18,19)
InChIKeyHXGUNAZOQDGMJT-UHFFFAOYSA-N
XLogP2.53
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.33
LogP ≤ 52.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

Agomelatine
CID 82148
N-[2-[7-[3-[8-(2-acetamidoethyl)naphthalen-2-yl]oxypropoxy]naphthalen-1-yl]ethyl]acetamide
CID 9870523
Propanamide, N-(2-(7-methoxy-1-naphthalenyl)ethyl)-
CID 3071631
Butanamide, 4-chloro-N-(2-(7-methoxy-1-naphthalenyl)ethyl)-
CID 3071634
2-Pyrrolidinone, 1-(2-(7-methoxy-1-naphthalenyl)ethyl)-
CID 3071635
Acetamide, 2-bromo-N-(2-(7-methoxy-1-naphthalenyl)ethyl)-
CID 3071636
Butanamide, N-(2-(7-methoxy-1-naphthalenyl)ethyl)-
CID 3071652
(Hydroxymethylphenyl)agomelatine
CID 9798456
N-[2-[7-[4-[8-(2-acetamidoethyl)naphthalen-2-yl]oxybutoxy]naphthalen-1-yl]ethyl]acetamide
CID 9806449
N-[(6-Methoxy-9-tricyclo[9.4.0.03,8]pentadeca-1(15),3(8),4,6,11,13-hexaenyl)methyl]acetamide
CID 11185529
Cifea
CID 53238181
N-[2-(2-Methoxy-1-naphthyl)ethyl]trifluoroacetamide
CID 11779359

Frequently Asked Questions

What is the IUPAC name of N-[2-(7-prop-2-ynoxynaphthalen-1-yl)ethyl]acetamide?
The IUPAC name of N-[2-(7-prop-2-ynoxynaphthalen-1-yl)ethyl]acetamide (CID 18783019) is N-[2-(7-prop-2-ynoxynaphthalen-1-yl)ethyl]acetamide.
What is the SMILES notation for N-[2-(7-prop-2-ynoxynaphthalen-1-yl)ethyl]acetamide?
The canonical SMILES for N-[2-(7-prop-2-ynoxynaphthalen-1-yl)ethyl]acetamide is C#CCOc1ccc2cccc(CCNC(C)=O)c2c1.
What is the InChIKey of N-[2-(7-prop-2-ynoxynaphthalen-1-yl)ethyl]acetamide?
The InChIKey is HXGUNAZOQDGMJT-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17NO2/c1-3-11-20-16-8-7-14-5-4-6-15(17(14)12-16)9-10-18-13(2)19/h1,4-8,12H,9-11H2,2H3,(H,18,19).
What are the key properties of N-[2-(7-prop-2-ynoxynaphthalen-1-yl)ethyl]acetamide?
N-[2-(7-prop-2-ynoxynaphthalen-1-yl)ethyl]acetamide has a molecular weight of 267.33 g/mol, XLogP of 2.53, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(7-prop-2-ynoxynaphthalen-1-yl)ethyl]acetamide is sourced from PubChem (CID 18783019), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).