2-(4-chlorophenoxy)-N-(6-hydroxyhexyl)-2-methylpropanamide

C16H24ClNO3 — CID 103919455

IUPAC2-(4-chlorophenoxy)-N-(6-hydroxyhexyl)-2-methylpropanamide
SMILESCC(C)(Oc1ccc(Cl)cc1)C(=O)NCCCCCCO
InChIInChI=1S/C16H24ClNO3/c1-16(2,21-14-9-7-13(17)8-10-14)15(20)18-11-5-3-4-6-12-19/h7-10,19H,3-6,11-12H2,1-2H3,(H,18,20)
InChIKeyHWPMPDRUKZUYES-UHFFFAOYSA-N
MW313.82 g/mol
LogP3.17
Rot. Bonds9

About 2-(4-chlorophenoxy)-N-(6-hydroxyhexyl)-2-methylpropanamide

2-(4-chlorophenoxy)-N-(6-hydroxyhexyl)-2-methylpropanamide (PubChem CID 103919455) has the molecular formula C16H24ClNO3 and a molecular weight of 313.82 g/mol. Its IUPAC name is 2-(4-chlorophenoxy)-N-(6-hydroxyhexyl)-2-methylpropanamide.

Molecular Properties

Compound Name2-(4-chlorophenoxy)-N-(6-hydroxyhexyl)-2-methylpropanamide
PubChem CID103919455
Molecular FormulaC16H24ClNO3
Molecular Weight313.82 g/mol
Exact Mass313.14
IUPAC Name2-(4-chlorophenoxy)-N-(6-hydroxyhexyl)-2-methylpropanamide
SMILESCC(C)(Oc1ccc(Cl)cc1)C(=O)NCCCCCCO
InChIInChI=1S/C16H24ClNO3/c1-16(2,21-14-9-7-13(17)8-10-14)15(20)18-11-5-3-4-6-12-19/h7-10,19H,3-6,11-12H2,1-2H3,(H,18,20)
InChIKeyHWPMPDRUKZUYES-UHFFFAOYSA-N
XLogP3.17
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.82
LogP ≤ 53.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-[4-(4-chlorobenzoyl)phenoxy]-N-(2-hydroxyethyl)-2-methylpropanamide
CID 154646221
3-[[2-(4-chlorophenoxy)-2-methylpropanoyl]amino]propanoic acid
CID 43092383
N-(2-aminoethyl)-2-[4-(4-chlorobenzoyl)phenoxy]-2-methylpropanamide
CID 58219036
2-(4-chlorophenoxy)-N-[(4-chlorophenyl)methyl]-2-methylpropanamide
CID 2597715
2-(4-chlorophenoxy)-2-methyl-N-(3-morpholin-4-ylpropyl)propanamide
CID 3973227
2-[4-(4-chlorobenzoyl)phenoxy]-N-[4-(diaminomethylideneamino)butyl]-2-methylpropanamide
CID 25141661
2-[2-[[2-(4-chlorophenoxy)-2-methylpropanoyl]amino]ethylsulfanyl]acetic acid
CID 119241330
4-[[[2-(4-chlorophenoxy)-2-methylpropanoyl]amino]methyl]benzoic acid
CID 28677125
2-(4-chlorophenoxy)-N-[[1-(2-hydroxyethyl)cyclopropyl]methyl]-2-methylpropanamide
CID 114751673
N-[3-[[2-(4-chlorophenoxy)-2-methylpropanoyl]amino]propyl]-2,2,5,5-tetramethyl-1H-pyrrole-3-carboxamide;hydrochloride
CID 14306915
2-(4-chlorophenoxy)-2-methyl-N-[2-(4-propylphenoxy)ethyl]propanamide
CID 100519506
2-(4-chlorophenoxy)-2-methyl-N-[3-(2-methylbenzimidazol-1-yl)propyl]propanamide
CID 51862887

Frequently Asked Questions

What is the IUPAC name of 2-(4-chlorophenoxy)-N-(6-hydroxyhexyl)-2-methylpropanamide?
The IUPAC name of 2-(4-chlorophenoxy)-N-(6-hydroxyhexyl)-2-methylpropanamide (CID 103919455) is 2-(4-chlorophenoxy)-N-(6-hydroxyhexyl)-2-methylpropanamide.
What is the SMILES notation for 2-(4-chlorophenoxy)-N-(6-hydroxyhexyl)-2-methylpropanamide?
The canonical SMILES for 2-(4-chlorophenoxy)-N-(6-hydroxyhexyl)-2-methylpropanamide is CC(C)(Oc1ccc(Cl)cc1)C(=O)NCCCCCCO.
What is the InChIKey of 2-(4-chlorophenoxy)-N-(6-hydroxyhexyl)-2-methylpropanamide?
The InChIKey is HWPMPDRUKZUYES-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24ClNO3/c1-16(2,21-14-9-7-13(17)8-10-14)15(20)18-11-5-3-4-6-12-19/h7-10,19H,3-6,11-12H2,1-2H3,(H,18,20).
What are the key properties of 2-(4-chlorophenoxy)-N-(6-hydroxyhexyl)-2-methylpropanamide?
2-(4-chlorophenoxy)-N-(6-hydroxyhexyl)-2-methylpropanamide has a molecular weight of 313.82 g/mol, XLogP of 3.17, 9 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chlorophenoxy)-N-(6-hydroxyhexyl)-2-methylpropanamide is sourced from PubChem (CID 103919455), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).