N-[4-(6-oxohexoxy)phenyl]hexanamide

C18H27NO3 — CID 54463406

IUPACN-[4-(6-oxohexoxy)phenyl]hexanamide
SMILESCCCCCC(=O)Nc1ccc(OCCCCCC=O)cc1
InChIInChI=1S/C18H27NO3/c1-2-3-6-9-18(21)19-16-10-12-17(13-11-16)22-15-8-5-4-7-14-20/h10-14H,2-9,15H2,1H3,(H,19,21)
InChIKeyMNRUODNPYLRMHN-UHFFFAOYSA-N
MW305.42 g/mol
LogP4.34
Rot. Bonds12

About N-[4-(6-oxohexoxy)phenyl]hexanamide

N-[4-(6-oxohexoxy)phenyl]hexanamide (PubChem CID 54463406) has the molecular formula C18H27NO3 and a molecular weight of 305.42 g/mol. Its IUPAC name is N-[4-(6-oxohexoxy)phenyl]hexanamide.

Molecular Properties

Compound NameN-[4-(6-oxohexoxy)phenyl]hexanamide
PubChem CID54463406
Molecular FormulaC18H27NO3
Molecular Weight305.42 g/mol
Exact Mass305.20
IUPAC NameN-[4-(6-oxohexoxy)phenyl]hexanamide
SMILESCCCCCC(=O)Nc1ccc(OCCCCCC=O)cc1
InChIInChI=1S/C18H27NO3/c1-2-3-6-9-18(21)19-16-10-12-17(13-11-16)22-15-8-5-4-7-14-20/h10-14H,2-9,15H2,1H3,(H,19,21)
InChIKeyMNRUODNPYLRMHN-UHFFFAOYSA-N
XLogP4.34
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds12
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.42
LogP ≤ 54.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-(4-decoxyphenyl)butanamide
CID 143303175
5-(4-hexoxyanilino)-5-oxopentanoic acid
CID 4939430
2-(ethylamino)-N-(4-hexoxyphenyl)acetamide
CID 54821037
[4-[[10-[4-(4-octoxybenzoyl)oxyanilino]-10-oxodecanoyl]amino]phenyl] 4-octoxybenzoate
CID 102213434
N-[4-[[2-(4-hexoxyanilino)-2-oxoethyl]amino]phenyl]butanamide
CID 54837237
N-[4-[[2-(4-heptoxyanilino)-2-oxoethyl]amino]phenyl]butanamide
CID 54836845
N-(4-butoxyphenyl)butanamide
CID 4939679
N-(4-heptoxyphenyl)-2-(prop-2-enylamino)acetamide
CID 54818376
N-[4-[4-(heptanoylamino)phenoxy]phenyl]heptanamide
CID 3351099
N-[4-(icosanoylamino)phenyl]icosanamide
CID 101291044
5-(4-butoxyanilino)-5-oxopentanoic acid
CID 4939768
N,N'-bis(4-ethoxyphenyl)nonanediamide
CID 4507995

Frequently Asked Questions

What is the IUPAC name of N-[4-(6-oxohexoxy)phenyl]hexanamide?
The IUPAC name of N-[4-(6-oxohexoxy)phenyl]hexanamide (CID 54463406) is N-[4-(6-oxohexoxy)phenyl]hexanamide.
What is the SMILES notation for N-[4-(6-oxohexoxy)phenyl]hexanamide?
The canonical SMILES for N-[4-(6-oxohexoxy)phenyl]hexanamide is CCCCCC(=O)Nc1ccc(OCCCCCC=O)cc1.
What is the InChIKey of N-[4-(6-oxohexoxy)phenyl]hexanamide?
The InChIKey is MNRUODNPYLRMHN-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H27NO3/c1-2-3-6-9-18(21)19-16-10-12-17(13-11-16)22-15-8-5-4-7-14-20/h10-14H,2-9,15H2,1H3,(H,19,21).
What are the key properties of N-[4-(6-oxohexoxy)phenyl]hexanamide?
N-[4-(6-oxohexoxy)phenyl]hexanamide has a molecular weight of 305.42 g/mol, XLogP of 4.34, 12 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(6-oxohexoxy)phenyl]hexanamide is sourced from PubChem (CID 54463406), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).