N-[2-(7-pentoxy-8-prop-2-enylnaphthalen-1-yl)ethyl]acetamide

C22H29NO2 — CID 22912537

IUPACN-[2-(7-pentoxy-8-prop-2-enylnaphthalen-1-yl)ethyl]acetamide
SMILESC=CCc1c(OCCCCC)ccc2cccc(CCNC(C)=O)c12
InChIInChI=1S/C22H29NO2/c1-4-6-7-16-25-21-13-12-18-10-8-11-19(14-15-23-17(3)24)22(18)20(21)9-5-2/h5,8,10-13H,2,4,6-7,9,14-16H2,1,3H3,(H,23,24)
InChIKeyHKVOZEACQCEYSE-UHFFFAOYSA-N
MW339.48 g/mol
LogP4.82
Rot. Bonds10

About N-[2-(7-pentoxy-8-prop-2-enylnaphthalen-1-yl)ethyl]acetamide

N-[2-(7-pentoxy-8-prop-2-enylnaphthalen-1-yl)ethyl]acetamide (PubChem CID 22912537) has the molecular formula C22H29NO2 and a molecular weight of 339.48 g/mol. Its IUPAC name is N-[2-(7-pentoxy-8-prop-2-enylnaphthalen-1-yl)ethyl]acetamide.

Molecular Properties

Compound NameN-[2-(7-pentoxy-8-prop-2-enylnaphthalen-1-yl)ethyl]acetamide
PubChem CID22912537
Molecular FormulaC22H29NO2
Molecular Weight339.48 g/mol
Exact Mass339.22
IUPAC NameN-[2-(7-pentoxy-8-prop-2-enylnaphthalen-1-yl)ethyl]acetamide
SMILESC=CCc1c(OCCCCC)ccc2cccc(CCNC(C)=O)c12
InChIInChI=1S/C22H29NO2/c1-4-6-7-16-25-21-13-12-18-10-8-11-19(14-15-23-17(3)24)22(18)20(21)9-5-2/h5,8,10-13H,2,4,6-7,9,14-16H2,1,3H3,(H,23,24)
InChIKeyHKVOZEACQCEYSE-UHFFFAOYSA-N
XLogP4.82
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds10
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.48
LogP ≤ 54.82
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

N-[2-(8-ethyl-7-methoxynaphthalen-1-yl)ethyl]acetamide
CID 22912546
1-cyclopropyl-3-[2-(7-methoxy-8-prop-2-enylnaphthalen-1-yl)ethyl]urea
CID 54238918
4-(7-methoxy-8-prop-2-enylnaphthalen-1-yl)-N-methylbutanamide
CID 19696807
N-[2-(7-hexylnaphthalen-1-yl)ethyl]acetamide
CID 140972151
N-[2-(7-propoxynaphthalen-1-yl)ethyl]acetamide
CID 10061753
1-(4-pentoxy-3-prop-2-enylphenyl)ethanone
CID 54849741
N-[2-[7-(4-naphthalen-2-yloxybutoxy)naphthalen-1-yl]ethyl]acetamide
CID 90888260
(3-octoxy-2-prop-2-enylphenyl)-bis(prop-2-enyl)borane
CID 66925475
1-hexoxypyrene-4,5-dicarboxylic acid
CID 175033274
N-[2-[2-[3-(4-butoxyphenyl)prop-2-enoyl]phenyl]ethyl]acetamide
CID 70372211
N-[(2-hexoxynaphthalen-1-yl)methyl]prop-2-en-1-amine
CID 54849892
N-[2-(3-benzyl-7-pentoxynaphthalen-1-yl)ethyl]acetamide
CID 23360915

Frequently Asked Questions

What is the IUPAC name of N-[2-(7-pentoxy-8-prop-2-enylnaphthalen-1-yl)ethyl]acetamide?
The IUPAC name of N-[2-(7-pentoxy-8-prop-2-enylnaphthalen-1-yl)ethyl]acetamide (CID 22912537) is N-[2-(7-pentoxy-8-prop-2-enylnaphthalen-1-yl)ethyl]acetamide.
What is the SMILES notation for N-[2-(7-pentoxy-8-prop-2-enylnaphthalen-1-yl)ethyl]acetamide?
The canonical SMILES for N-[2-(7-pentoxy-8-prop-2-enylnaphthalen-1-yl)ethyl]acetamide is C=CCc1c(OCCCCC)ccc2cccc(CCNC(C)=O)c12.
What is the InChIKey of N-[2-(7-pentoxy-8-prop-2-enylnaphthalen-1-yl)ethyl]acetamide?
The InChIKey is HKVOZEACQCEYSE-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H29NO2/c1-4-6-7-16-25-21-13-12-18-10-8-11-19(14-15-23-17(3)24)22(18)20(21)9-5-2/h5,8,10-13H,2,4,6-7,9,14-16H2,1,3H3,(H,23,24).
What are the key properties of N-[2-(7-pentoxy-8-prop-2-enylnaphthalen-1-yl)ethyl]acetamide?
N-[2-(7-pentoxy-8-prop-2-enylnaphthalen-1-yl)ethyl]acetamide has a molecular weight of 339.48 g/mol, XLogP of 4.82, 10 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(7-pentoxy-8-prop-2-enylnaphthalen-1-yl)ethyl]acetamide is sourced from PubChem (CID 22912537), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).