3-(2-chlorophenoxy)-N-[(3-hydroxycyclobutyl)methyl]propanamide

C14H18ClNO3 — CID 66004697

IUPAC3-(2-chlorophenoxy)-N-[(3-hydroxycyclobutyl)methyl]propanamide
SMILESO=C(CCOc1ccccc1Cl)NCC1CC(O)C1
InChIInChI=1S/C14H18ClNO3/c15-12-3-1-2-4-13(12)19-6-5-14(18)16-9-10-7-11(17)8-10/h1-4,10-11,17H,5-9H2,(H,16,18)
InChIKeyRJVZIWPWSAMIKH-UHFFFAOYSA-N
MW283.75 g/mol
LogP2.00
Rot. Bonds6

About 3-(2-chlorophenoxy)-N-[(3-hydroxycyclobutyl)methyl]propanamide

3-(2-chlorophenoxy)-N-[(3-hydroxycyclobutyl)methyl]propanamide (PubChem CID 66004697) has the molecular formula C14H18ClNO3 and a molecular weight of 283.75 g/mol. Its IUPAC name is 3-(2-chlorophenoxy)-N-[(3-hydroxycyclobutyl)methyl]propanamide.

Molecular Properties

Compound Name3-(2-chlorophenoxy)-N-[(3-hydroxycyclobutyl)methyl]propanamide
PubChem CID66004697
Molecular FormulaC14H18ClNO3
Molecular Weight283.75 g/mol
Exact Mass283.10
IUPAC Name3-(2-chlorophenoxy)-N-[(3-hydroxycyclobutyl)methyl]propanamide
SMILESO=C(CCOc1ccccc1Cl)NCC1CC(O)C1
InChIInChI=1S/C14H18ClNO3/c15-12-3-1-2-4-13(12)19-6-5-14(18)16-9-10-7-11(17)8-10/h1-4,10-11,17H,5-9H2,(H,16,18)
InChIKeyRJVZIWPWSAMIKH-UHFFFAOYSA-N
XLogP2.00
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.75
LogP ≤ 52.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-[[4-(2-chlorophenoxy)butanoylamino]methyl]cyclohexane-1-carboxamide
CID 75534315
3-(2-fluorophenoxy)-N-[(3-hydroxycyclopentyl)methyl]propanamide
CID 103280030
3-(2-chlorophenoxy)-N-[[(2S)-oxolan-2-yl]methyl]propanamide
CID 94087930
3-(2-chlorophenoxy)-N-(oxolan-2-ylmethyl)propanamide
CID 51077938
trans-(1S,2R)-2-[[3-(2-chlorophenoxy)propanoylamino]methyl]cyclohexane-1-carboxylic acid
CID 108811024
4-(2-chlorophenoxy)-N-[[(3S)-1,1-dioxothiolan-3-yl]methyl]butanamide
CID 94345213
N-(2-aminoethyl)-3-(2-chlorophenoxy)propanamide;hydrochloride
CID 119383062
3-(2,3-dichlorophenoxy)-N-[(2-hydroxycyclopentyl)methyl]propanamide
CID 111471477
2-[4-[2-(2-chlorophenoxy)ethyl]piperazin-1-yl]-N-(cyclopropylmethyl)acetamide
CID 35462388
3-(2-chlorophenoxy)-N-decylpropanamide
CID 108789478
3-[3-(2-chlorophenoxy)propanoylamino]-2-methylpropanoic acid
CID 62676014
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CID 119514717

Frequently Asked Questions

What is the IUPAC name of 3-(2-chlorophenoxy)-N-[(3-hydroxycyclobutyl)methyl]propanamide?
The IUPAC name of 3-(2-chlorophenoxy)-N-[(3-hydroxycyclobutyl)methyl]propanamide (CID 66004697) is 3-(2-chlorophenoxy)-N-[(3-hydroxycyclobutyl)methyl]propanamide.
What is the SMILES notation for 3-(2-chlorophenoxy)-N-[(3-hydroxycyclobutyl)methyl]propanamide?
The canonical SMILES for 3-(2-chlorophenoxy)-N-[(3-hydroxycyclobutyl)methyl]propanamide is O=C(CCOc1ccccc1Cl)NCC1CC(O)C1.
What is the InChIKey of 3-(2-chlorophenoxy)-N-[(3-hydroxycyclobutyl)methyl]propanamide?
The InChIKey is RJVZIWPWSAMIKH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18ClNO3/c15-12-3-1-2-4-13(12)19-6-5-14(18)16-9-10-7-11(17)8-10/h1-4,10-11,17H,5-9H2,(H,16,18).
What are the key properties of 3-(2-chlorophenoxy)-N-[(3-hydroxycyclobutyl)methyl]propanamide?
3-(2-chlorophenoxy)-N-[(3-hydroxycyclobutyl)methyl]propanamide has a molecular weight of 283.75 g/mol, XLogP of 2.00, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-chlorophenoxy)-N-[(3-hydroxycyclobutyl)methyl]propanamide is sourced from PubChem (CID 66004697), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).