N-[4-(2-ethenoxyethoxy)phenyl]pentanamide

C15H21NO3 — CID 102477298

IUPACN-[4-(2-ethenoxyethoxy)phenyl]pentanamide
SMILESC=COCCOc1ccc(NC(=O)CCCC)cc1
InChIInChI=1S/C15H21NO3/c1-3-5-6-15(17)16-13-7-9-14(10-8-13)19-12-11-18-4-2/h4,7-10H,2-3,5-6,11-12H2,1H3,(H,16,17)
InChIKeyLLCRIMPQRHOLCU-UHFFFAOYSA-N
MW263.34 g/mol
LogP3.35
Rot. Bonds9

About N-[4-(2-ethenoxyethoxy)phenyl]pentanamide

N-[4-(2-ethenoxyethoxy)phenyl]pentanamide (PubChem CID 102477298) has the molecular formula C15H21NO3 and a molecular weight of 263.34 g/mol. Its IUPAC name is N-[4-(2-ethenoxyethoxy)phenyl]pentanamide.

Molecular Properties

Compound NameN-[4-(2-ethenoxyethoxy)phenyl]pentanamide
PubChem CID102477298
Molecular FormulaC15H21NO3
Molecular Weight263.34 g/mol
Exact Mass263.15
IUPAC NameN-[4-(2-ethenoxyethoxy)phenyl]pentanamide
SMILESC=COCCOc1ccc(NC(=O)CCCC)cc1
InChIInChI=1S/C15H21NO3/c1-3-5-6-15(17)16-13-7-9-14(10-8-13)19-12-11-18-4-2/h4,7-10H,2-3,5-6,11-12H2,1H3,(H,16,17)
InChIKeyLLCRIMPQRHOLCU-UHFFFAOYSA-N
XLogP3.35
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.34
LogP ≤ 53.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-(4-butoxyphenyl)butanamide
CID 4939679
5-(4-butoxyanilino)-5-oxopentanoic acid
CID 4939768
N-(4-decoxyphenyl)butanamide
CID 143303175
N-(4-butoxyphenyl)-4-(4-tert-butylphenoxy)butanamide
CID 19173570
5-(4-hexoxyanilino)-5-oxopentanoic acid
CID 4939430
N-[[4-(2-methoxyethoxy)phenyl]carbamothioyl]hexanamide
CID 17340586
5-chloro-N-[4-(2-methoxyethoxy)phenyl]pentanamide
CID 43701603
4-butoxy-N-[4-(3-iodopropoxy)phenyl]butanamide
CID 139895483
4-(4-ethylphenoxy)-N-(4-ethylphenyl)butanamide
CID 19173503
N-[4-[[2-(4-butoxyanilino)acetyl]amino]phenyl]butanamide
CID 54820523
N-[4-(6-oxohexoxy)phenyl]hexanamide
CID 54463406
N-(4-heptoxyphenyl)-2-(prop-2-enylamino)acetamide
CID 54818376

Frequently Asked Questions

What is the IUPAC name of N-[4-(2-ethenoxyethoxy)phenyl]pentanamide?
The IUPAC name of N-[4-(2-ethenoxyethoxy)phenyl]pentanamide (CID 102477298) is N-[4-(2-ethenoxyethoxy)phenyl]pentanamide.
What is the SMILES notation for N-[4-(2-ethenoxyethoxy)phenyl]pentanamide?
The canonical SMILES for N-[4-(2-ethenoxyethoxy)phenyl]pentanamide is C=COCCOc1ccc(NC(=O)CCCC)cc1.
What is the InChIKey of N-[4-(2-ethenoxyethoxy)phenyl]pentanamide?
The InChIKey is LLCRIMPQRHOLCU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21NO3/c1-3-5-6-15(17)16-13-7-9-14(10-8-13)19-12-11-18-4-2/h4,7-10H,2-3,5-6,11-12H2,1H3,(H,16,17).
What are the key properties of N-[4-(2-ethenoxyethoxy)phenyl]pentanamide?
N-[4-(2-ethenoxyethoxy)phenyl]pentanamide has a molecular weight of 263.34 g/mol, XLogP of 3.35, 9 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(2-ethenoxyethoxy)phenyl]pentanamide is sourced from PubChem (CID 102477298), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).