4-(2,4-dichlorophenoxy)-N-[4-(hydroxymethyl)cyclohexyl]-N-methylbutanamide

C18H25Cl2NO3 — CID 25144213

IUPAC4-(2,4-dichlorophenoxy)-N-[4-(hydroxymethyl)cyclohexyl]-N-methylbutanamide
SMILESCN(C(=O)CCCOc1ccc(Cl)cc1Cl)C1CCC(CO)CC1
InChIInChI=1S/C18H25Cl2NO3/c1-21(15-7-4-13(12-22)5-8-15)18(23)3-2-10-24-17-9-6-14(19)11-16(17)20/h6,9,11,13,15,22H,2-5,7-8,10,12H2,1H3
InChIKeyZBLBIKQVWXDWMP-UHFFFAOYSA-N
MW374.31 g/mol
LogP4.16
Rot. Bonds7

About 4-(2,4-dichlorophenoxy)-N-[4-(hydroxymethyl)cyclohexyl]-N-methylbutanamide

4-(2,4-dichlorophenoxy)-N-[4-(hydroxymethyl)cyclohexyl]-N-methylbutanamide (PubChem CID 25144213) has the molecular formula C18H25Cl2NO3 and a molecular weight of 374.31 g/mol. Its IUPAC name is 4-(2,4-dichlorophenoxy)-N-[4-(hydroxymethyl)cyclohexyl]-N-methylbutanamide.

Molecular Properties

Compound Name4-(2,4-dichlorophenoxy)-N-[4-(hydroxymethyl)cyclohexyl]-N-methylbutanamide
PubChem CID25144213
Molecular FormulaC18H25Cl2NO3
Molecular Weight374.31 g/mol
Exact Mass373.12
IUPAC Name4-(2,4-dichlorophenoxy)-N-[4-(hydroxymethyl)cyclohexyl]-N-methylbutanamide
SMILESCN(C(=O)CCCOc1ccc(Cl)cc1Cl)C1CCC(CO)CC1
InChIInChI=1S/C18H25Cl2NO3/c1-21(15-7-4-13(12-22)5-8-15)18(23)3-2-10-24-17-9-6-14(19)11-16(17)20/h6,9,11,13,15,22H,2-5,7-8,10,12H2,1H3
InChIKeyZBLBIKQVWXDWMP-UHFFFAOYSA-N
XLogP4.16
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.31
LogP ≤ 54.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

ethyl 3-[cyclopropyl-[4-(2,4-dichlorophenoxy)butanoyl]amino]-2-methylpropanoate
CID 84559248
N,N-di(butan-2-yl)-4-(2,4-dichlorophenoxy)butanamide
CID 4181980
2-(2,4-dichlorophenoxy)-N-methyl-N-(1-methylpiperidin-4-yl)acetamide
CID 110830692
3-(2,4-dichlorophenoxy)-N-piperidin-4-yl-N-propylpropanamide;hydrochloride
CID 119825395
4-N-[2-(2,4-dichlorophenoxy)ethyl]-4-N-methylcyclohexane-1,4-diamine
CID 79121912
3-(2,4-dichlorophenoxy)-N-methylpropanehydrazide
CID 116820473
4-(2,4-dichlorophenoxy)-N-ethyl-N-propylbutanamide
CID 162432622
2-(2,4-dichlorophenoxy)-N-methyl-N-pyrrolidin-3-ylacetamide
CID 82177023
3-(4-chloro-2-nitrophenoxy)-N-methyl-N-piperidin-4-ylpropanamide
CID 119442830
3-[3-(2,4-dichlorophenoxy)propanoyl-(oxan-4-yl)amino]propanoic acid
CID 154750562
4-(2,4-dichlorophenoxy)-N-ethyl-N-(oxolan-2-ylmethyl)butanamide
CID 60568779
N-[2-(2,4-dichlorophenoxy)ethyl]-N-methylpiperidin-4-amine;hydrochloride
CID 119913425

Frequently Asked Questions

What is the IUPAC name of 4-(2,4-dichlorophenoxy)-N-[4-(hydroxymethyl)cyclohexyl]-N-methylbutanamide?
The IUPAC name of 4-(2,4-dichlorophenoxy)-N-[4-(hydroxymethyl)cyclohexyl]-N-methylbutanamide (CID 25144213) is 4-(2,4-dichlorophenoxy)-N-[4-(hydroxymethyl)cyclohexyl]-N-methylbutanamide.
What is the SMILES notation for 4-(2,4-dichlorophenoxy)-N-[4-(hydroxymethyl)cyclohexyl]-N-methylbutanamide?
The canonical SMILES for 4-(2,4-dichlorophenoxy)-N-[4-(hydroxymethyl)cyclohexyl]-N-methylbutanamide is CN(C(=O)CCCOc1ccc(Cl)cc1Cl)C1CCC(CO)CC1.
What is the InChIKey of 4-(2,4-dichlorophenoxy)-N-[4-(hydroxymethyl)cyclohexyl]-N-methylbutanamide?
The InChIKey is ZBLBIKQVWXDWMP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25Cl2NO3/c1-21(15-7-4-13(12-22)5-8-15)18(23)3-2-10-24-17-9-6-14(19)11-16(17)20/h6,9,11,13,15,22H,2-5,7-8,10,12H2,1H3.
What are the key properties of 4-(2,4-dichlorophenoxy)-N-[4-(hydroxymethyl)cyclohexyl]-N-methylbutanamide?
4-(2,4-dichlorophenoxy)-N-[4-(hydroxymethyl)cyclohexyl]-N-methylbutanamide has a molecular weight of 374.31 g/mol, XLogP of 4.16, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2,4-dichlorophenoxy)-N-[4-(hydroxymethyl)cyclohexyl]-N-methylbutanamide is sourced from PubChem (CID 25144213), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).