2-(2-chlorophenoxy)-N-cyclobutyl-N-(3-hydroxypropyl)propanamide

C16H22ClNO3 — CID 102866620

IUPAC2-(2-chlorophenoxy)-N-cyclobutyl-N-(3-hydroxypropyl)propanamide
SMILESCC(Oc1ccccc1Cl)C(=O)N(CCCO)C1CCC1
InChIInChI=1S/C16H22ClNO3/c1-12(21-15-9-3-2-8-14(15)17)16(20)18(10-5-11-19)13-6-4-7-13/h2-3,8-9,12-13,19H,4-7,10-11H2,1H3
InChIKeyXGVSRUOKEVWCFZ-UHFFFAOYSA-N
MW311.81 g/mol
LogP2.87
Rot. Bonds7

About 2-(2-chlorophenoxy)-N-cyclobutyl-N-(3-hydroxypropyl)propanamide

2-(2-chlorophenoxy)-N-cyclobutyl-N-(3-hydroxypropyl)propanamide (PubChem CID 102866620) has the molecular formula C16H22ClNO3 and a molecular weight of 311.81 g/mol. Its IUPAC name is 2-(2-chlorophenoxy)-N-cyclobutyl-N-(3-hydroxypropyl)propanamide.

Molecular Properties

Compound Name2-(2-chlorophenoxy)-N-cyclobutyl-N-(3-hydroxypropyl)propanamide
PubChem CID102866620
Molecular FormulaC16H22ClNO3
Molecular Weight311.81 g/mol
Exact Mass311.13
IUPAC Name2-(2-chlorophenoxy)-N-cyclobutyl-N-(3-hydroxypropyl)propanamide
SMILESCC(Oc1ccccc1Cl)C(=O)N(CCCO)C1CCC1
InChIInChI=1S/C16H22ClNO3/c1-12(21-15-9-3-2-8-14(15)17)16(20)18(10-5-11-19)13-6-4-7-13/h2-3,8-9,12-13,19H,4-7,10-11H2,1H3
InChIKeyXGVSRUOKEVWCFZ-UHFFFAOYSA-N
XLogP2.87
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.81
LogP ≤ 52.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-cyclobutyl-2-(2,4-dichlorophenoxy)-N-(2-hydroxyethyl)propanamide
CID 102684163
2-(2-chlorophenoxy)-N-(1,1-dioxothiolan-3-yl)-N-(3-methoxypropyl)propanamide
CID 71942674
N-cyclobutyl-N-(3-hydroxypropyl)-2-(4-methylphenoxy)propanamide
CID 102866166
N-cyclobutyl-N-(2-hydroxyethyl)-2-phenoxypropanamide
CID 102684586
N-cyclobutyl-N-(3-hydroxypropyl)-2-phenylpropanamide
CID 102978246
2-(2-cyanophenoxy)-N-cyclopropyl-N-(2-hydroxyethyl)propanamide
CID 43576582
N-benzyl-2-(2-chlorophenoxy)-N-(1,1-dioxothiolan-3-yl)propanamide
CID 3813701
2-chloro-N-cyclobutyl-N-(3-hydroxypropyl)-2-phenylacetamide
CID 102861176
3-[2-(2-chlorophenoxy)propyl]-1-cyclopropyl-1-(2-hydroxyethyl)urea
CID 111508528
4-[2-(2-chlorophenoxy)propanoyl-methylamino]butanoic acid
CID 43359977
2-(4-chloro-2-methylphenoxy)-N-cyclopropyl-N-(2-hydroxyethyl)propanamide
CID 43576645
2-[2-(2-chlorophenoxy)propanoyl-(cyclopropylmethyl)amino]acetic acid
CID 43655313

Frequently Asked Questions

What is the IUPAC name of 2-(2-chlorophenoxy)-N-cyclobutyl-N-(3-hydroxypropyl)propanamide?
The IUPAC name of 2-(2-chlorophenoxy)-N-cyclobutyl-N-(3-hydroxypropyl)propanamide (CID 102866620) is 2-(2-chlorophenoxy)-N-cyclobutyl-N-(3-hydroxypropyl)propanamide.
What is the SMILES notation for 2-(2-chlorophenoxy)-N-cyclobutyl-N-(3-hydroxypropyl)propanamide?
The canonical SMILES for 2-(2-chlorophenoxy)-N-cyclobutyl-N-(3-hydroxypropyl)propanamide is CC(Oc1ccccc1Cl)C(=O)N(CCCO)C1CCC1.
What is the InChIKey of 2-(2-chlorophenoxy)-N-cyclobutyl-N-(3-hydroxypropyl)propanamide?
The InChIKey is XGVSRUOKEVWCFZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22ClNO3/c1-12(21-15-9-3-2-8-14(15)17)16(20)18(10-5-11-19)13-6-4-7-13/h2-3,8-9,12-13,19H,4-7,10-11H2,1H3.
What are the key properties of 2-(2-chlorophenoxy)-N-cyclobutyl-N-(3-hydroxypropyl)propanamide?
2-(2-chlorophenoxy)-N-cyclobutyl-N-(3-hydroxypropyl)propanamide has a molecular weight of 311.81 g/mol, XLogP of 2.87, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-chlorophenoxy)-N-cyclobutyl-N-(3-hydroxypropyl)propanamide is sourced from PubChem (CID 102866620), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).