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

C17H25Cl2NO2 — CID 4617435

IUPACN,N-di(butan-2-yl)-2-(2,4-dichlorophenoxy)propanamide
SMILESCCC(C)N(C(=O)C(C)Oc1ccc(Cl)cc1Cl)C(C)CC
InChIInChI=1S/C17H25Cl2NO2/c1-6-11(3)20(12(4)7-2)17(21)13(5)22-16-9-8-14(18)10-15(16)19/h8-13H,6-7H2,1-5H3
InChIKeyFZLWKLDUYJXHMZ-UHFFFAOYSA-N
MW346.30 g/mol
LogP5.19
Rot. Bonds7

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

N,N-di(butan-2-yl)-2-(2,4-dichlorophenoxy)propanamide (PubChem CID 4617435) has the molecular formula C17H25Cl2NO2 and a molecular weight of 346.30 g/mol. Its IUPAC name is N,N-di(butan-2-yl)-2-(2,4-dichlorophenoxy)propanamide.

Molecular Properties

Compound NameN,N-di(butan-2-yl)-2-(2,4-dichlorophenoxy)propanamide
PubChem CID4617435
Molecular FormulaC17H25Cl2NO2
Molecular Weight346.30 g/mol
Exact Mass345.13
IUPAC NameN,N-di(butan-2-yl)-2-(2,4-dichlorophenoxy)propanamide
SMILESCCC(C)N(C(=O)C(C)Oc1ccc(Cl)cc1Cl)C(C)CC
InChIInChI=1S/C17H25Cl2NO2/c1-6-11(3)20(12(4)7-2)17(21)13(5)22-16-9-8-14(18)10-15(16)19/h8-13H,6-7H2,1-5H3
InChIKeyFZLWKLDUYJXHMZ-UHFFFAOYSA-N
XLogP5.19
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500346.30
LogP ≤ 55.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

N,N-dibutyl-2-(2,4-dichlorophenoxy)propanamide
CID 4155805
2-(2,4-dichlorophenoxy)propanoic acid
CID 8427
2-(2,4-dichlorophenoxy)propanoyl chloride
CID 14303380
2-(2,4-dichlorophenoxy)-N-ethyl-N-(3-hydroxypropyl)propanamide
CID 115771866
N-cyclobutyl-2-(2,4-dichlorophenoxy)-N-(2-hydroxyethyl)propanamide
CID 102684163
azane;2-(2,4-dichlorophenoxy)propanoic acid
CID 173303839
amino (2S)-2-(2,4-dichlorophenoxy)propanoate
CID 170104927
azanium 2-(2,4-dichlorophenoxy)propanoate
CID 21219600
N,N-di(butan-2-yl)-4-(2,4-dichlorophenoxy)butanamide
CID 4181980
(2R)-2-(2,4-dichlorophenoxy)-N-[(2R)-2-methylbutyl]propanamide
CID 2291416
2-(2,4-dichlorophenoxy)-N-(4-hydroxyphenyl)-N-methylpropanamide
CID 82032140
(2R)-2-(2,4-dichlorophenoxy)-N-ethoxypropanamide
CID 30690113

Frequently Asked Questions

What is the IUPAC name of N,N-di(butan-2-yl)-2-(2,4-dichlorophenoxy)propanamide?
The IUPAC name of N,N-di(butan-2-yl)-2-(2,4-dichlorophenoxy)propanamide (CID 4617435) is N,N-di(butan-2-yl)-2-(2,4-dichlorophenoxy)propanamide.
What is the SMILES notation for N,N-di(butan-2-yl)-2-(2,4-dichlorophenoxy)propanamide?
The canonical SMILES for N,N-di(butan-2-yl)-2-(2,4-dichlorophenoxy)propanamide is CCC(C)N(C(=O)C(C)Oc1ccc(Cl)cc1Cl)C(C)CC.
What is the InChIKey of N,N-di(butan-2-yl)-2-(2,4-dichlorophenoxy)propanamide?
The InChIKey is FZLWKLDUYJXHMZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25Cl2NO2/c1-6-11(3)20(12(4)7-2)17(21)13(5)22-16-9-8-14(18)10-15(16)19/h8-13H,6-7H2,1-5H3.
What are the key properties of N,N-di(butan-2-yl)-2-(2,4-dichlorophenoxy)propanamide?
N,N-di(butan-2-yl)-2-(2,4-dichlorophenoxy)propanamide has a molecular weight of 346.30 g/mol, XLogP of 5.19, 7 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)-2-(2,4-dichlorophenoxy)propanamide is sourced from PubChem (CID 4617435), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).