N-cyclobutyl-2-(2,4-dichlorophenoxy)-N-(2-hydroxyethyl)propanamide

C15H19Cl2NO3 — CID 102684163

IUPACN-cyclobutyl-2-(2,4-dichlorophenoxy)-N-(2-hydroxyethyl)propanamide
SMILESCC(Oc1ccc(Cl)cc1Cl)C(=O)N(CCO)C1CCC1
InChIInChI=1S/C15H19Cl2NO3/c1-10(21-14-6-5-11(16)9-13(14)17)15(20)18(7-8-19)12-3-2-4-12/h5-6,9-10,12,19H,2-4,7-8H2,1H3
InChIKeyIFFQYHQVEVMQSI-UHFFFAOYSA-N
MW332.23 g/mol
LogP3.13
Rot. Bonds6

About N-cyclobutyl-2-(2,4-dichlorophenoxy)-N-(2-hydroxyethyl)propanamide

N-cyclobutyl-2-(2,4-dichlorophenoxy)-N-(2-hydroxyethyl)propanamide (PubChem CID 102684163) has the molecular formula C15H19Cl2NO3 and a molecular weight of 332.23 g/mol. Its IUPAC name is N-cyclobutyl-2-(2,4-dichlorophenoxy)-N-(2-hydroxyethyl)propanamide.

Molecular Properties

Compound NameN-cyclobutyl-2-(2,4-dichlorophenoxy)-N-(2-hydroxyethyl)propanamide
PubChem CID102684163
Molecular FormulaC15H19Cl2NO3
Molecular Weight332.23 g/mol
Exact Mass331.07
IUPAC NameN-cyclobutyl-2-(2,4-dichlorophenoxy)-N-(2-hydroxyethyl)propanamide
SMILESCC(Oc1ccc(Cl)cc1Cl)C(=O)N(CCO)C1CCC1
InChIInChI=1S/C15H19Cl2NO3/c1-10(21-14-6-5-11(16)9-13(14)17)15(20)18(7-8-19)12-3-2-4-12/h5-6,9-10,12,19H,2-4,7-8H2,1H3
InChIKeyIFFQYHQVEVMQSI-UHFFFAOYSA-N
XLogP3.13
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.23
LogP ≤ 53.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(4-chloro-2-methylphenoxy)-N-cyclopropyl-N-(2-hydroxyethyl)propanamide
CID 43576645
2-(2-chlorophenoxy)-N-cyclobutyl-N-(3-hydroxypropyl)propanamide
CID 102866620
N,N-di(butan-2-yl)-2-(2,4-dichlorophenoxy)propanamide
CID 4617435
2-(2,4-dichlorophenoxy)-N-ethyl-N-(3-hydroxypropyl)propanamide
CID 115771866
N-cyclobutyl-N-(2-hydroxyethyl)-2-phenoxypropanamide
CID 102684586
N,N-dibutyl-2-(2,4-dichlorophenoxy)propanamide
CID 4155805
2-[cyclobutyl-[2-(2,4-dichlorophenoxy)ethyl]amino]ethanol
CID 102676706
(2S)-N-[(2-chlorophenyl)methyl]-2-(2,4-dichlorophenoxy)-N-[(3R)-1,1-dioxothiolan-3-yl]propanamide
CID 41065086
2-(2,4-dichlorophenoxy)-N-methyl-N-pyrrolidin-3-ylpropanamide;hydrochloride
CID 119550666
(2S)-N-cyclopropyl-2-(2,4-dichlorophenoxy)propanamide
CID 898785
(2R)-N-cyclopropyl-2-(2,4-dichlorophenoxy)propanamide
CID 898786
2-[cyclohexyl-[2-(2,4-dichlorophenoxy)ethyl]amino]ethanol
CID 63470319

Frequently Asked Questions

What is the IUPAC name of N-cyclobutyl-2-(2,4-dichlorophenoxy)-N-(2-hydroxyethyl)propanamide?
The IUPAC name of N-cyclobutyl-2-(2,4-dichlorophenoxy)-N-(2-hydroxyethyl)propanamide (CID 102684163) is N-cyclobutyl-2-(2,4-dichlorophenoxy)-N-(2-hydroxyethyl)propanamide.
What is the SMILES notation for N-cyclobutyl-2-(2,4-dichlorophenoxy)-N-(2-hydroxyethyl)propanamide?
The canonical SMILES for N-cyclobutyl-2-(2,4-dichlorophenoxy)-N-(2-hydroxyethyl)propanamide is CC(Oc1ccc(Cl)cc1Cl)C(=O)N(CCO)C1CCC1.
What is the InChIKey of N-cyclobutyl-2-(2,4-dichlorophenoxy)-N-(2-hydroxyethyl)propanamide?
The InChIKey is IFFQYHQVEVMQSI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19Cl2NO3/c1-10(21-14-6-5-11(16)9-13(14)17)15(20)18(7-8-19)12-3-2-4-12/h5-6,9-10,12,19H,2-4,7-8H2,1H3.
What are the key properties of N-cyclobutyl-2-(2,4-dichlorophenoxy)-N-(2-hydroxyethyl)propanamide?
N-cyclobutyl-2-(2,4-dichlorophenoxy)-N-(2-hydroxyethyl)propanamide has a molecular weight of 332.23 g/mol, XLogP of 3.13, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclobutyl-2-(2,4-dichlorophenoxy)-N-(2-hydroxyethyl)propanamide is sourced from PubChem (CID 102684163), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).