N,N-di(butan-2-yl)-4-(2,4-dichlorophenoxy)butanamide

C18H27Cl2NO2 — CID 4181980

IUPACN,N-di(butan-2-yl)-4-(2,4-dichlorophenoxy)butanamide
SMILESCCC(C)N(C(=O)CCCOc1ccc(Cl)cc1Cl)C(C)CC
InChIInChI=1S/C18H27Cl2NO2/c1-5-13(3)21(14(4)6-2)18(22)8-7-11-23-17-10-9-15(19)12-16(17)20/h9-10,12-14H,5-8,11H2,1-4H3
InChIKeyKVHQHHIQBDLBDX-UHFFFAOYSA-N
MW360.33 g/mol
LogP5.58
Rot. Bonds9

About N,N-di(butan-2-yl)-4-(2,4-dichlorophenoxy)butanamide

N,N-di(butan-2-yl)-4-(2,4-dichlorophenoxy)butanamide (PubChem CID 4181980) has the molecular formula C18H27Cl2NO2 and a molecular weight of 360.33 g/mol. Its IUPAC name is N,N-di(butan-2-yl)-4-(2,4-dichlorophenoxy)butanamide.

Molecular Properties

Compound NameN,N-di(butan-2-yl)-4-(2,4-dichlorophenoxy)butanamide
PubChem CID4181980
Molecular FormulaC18H27Cl2NO2
Molecular Weight360.33 g/mol
Exact Mass359.14
IUPAC NameN,N-di(butan-2-yl)-4-(2,4-dichlorophenoxy)butanamide
SMILESCCC(C)N(C(=O)CCCOc1ccc(Cl)cc1Cl)C(C)CC
InChIInChI=1S/C18H27Cl2NO2/c1-5-13(3)21(14(4)6-2)18(22)8-7-11-23-17-10-9-15(19)12-16(17)20/h9-10,12-14H,5-8,11H2,1-4H3
InChIKeyKVHQHHIQBDLBDX-UHFFFAOYSA-N
XLogP5.58
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500360.33
LogP ≤ 55.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze N,N-di(butan-2-yl)-4-(2,4-dichlorophenoxy)butanamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-(2,4-dichlorophenoxy)-N-ethyl-N-propylbutanamide
CID 162432622
ethyl 3-[cyclopropyl-[4-(2,4-dichlorophenoxy)butanoyl]amino]-2-methylpropanoate
CID 84559248
4-(2,4-dichlorophenoxy)-N-ethoxybutanamide
CID 52540404
2-[butan-2-yl-[2-(2,4-dichlorophenoxy)ethyl]amino]acetic acid
CID 60833285
methyl 2-[4-(2,4-dichlorophenoxy)butanoylamino]-3-methylpentanoate
CID 112791614
N,N-di(butan-2-yl)-2-(2,4-dichlorophenoxy)propanamide
CID 4617435
3-(2,4-dichlorophenoxy)-N-methylpropanehydrazide
CID 116820473
4-(2,4-dichlorophenoxy)-N-ethyl-N-[2-(ethylamino)-2-oxoethyl]butanamide
CID 55368591
4-(2,4-dichlorophenoxy)-N-[4-(hydroxymethyl)cyclohexyl]-N-methylbutanamide
CID 25144213
1-N',5-N'-bis[4-(2,4-dichlorophenoxy)butanoyl]pentanedihydrazide
CID 3689924
4-(2,4-dichlorophenoxy)-N-ethyl-N-(oxolan-2-ylmethyl)butanamide
CID 60568779
ethyl 3-[2-(2,4-dichlorophenoxy)ethyl-methylamino]propanoate
CID 62012022

Frequently Asked Questions

What is the IUPAC name of N,N-di(butan-2-yl)-4-(2,4-dichlorophenoxy)butanamide?
The IUPAC name of N,N-di(butan-2-yl)-4-(2,4-dichlorophenoxy)butanamide (CID 4181980) is N,N-di(butan-2-yl)-4-(2,4-dichlorophenoxy)butanamide.
What is the SMILES notation for N,N-di(butan-2-yl)-4-(2,4-dichlorophenoxy)butanamide?
The canonical SMILES for N,N-di(butan-2-yl)-4-(2,4-dichlorophenoxy)butanamide is CCC(C)N(C(=O)CCCOc1ccc(Cl)cc1Cl)C(C)CC.
What is the InChIKey of N,N-di(butan-2-yl)-4-(2,4-dichlorophenoxy)butanamide?
The InChIKey is KVHQHHIQBDLBDX-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H27Cl2NO2/c1-5-13(3)21(14(4)6-2)18(22)8-7-11-23-17-10-9-15(19)12-16(17)20/h9-10,12-14H,5-8,11H2,1-4H3.
What are the key properties of N,N-di(butan-2-yl)-4-(2,4-dichlorophenoxy)butanamide?
N,N-di(butan-2-yl)-4-(2,4-dichlorophenoxy)butanamide has a molecular weight of 360.33 g/mol, XLogP of 5.58, 9 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-di(butan-2-yl)-4-(2,4-dichlorophenoxy)butanamide is sourced from PubChem (CID 4181980), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).