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

C14H18ClNO3 — CID 66006623

IUPAC2-(3-chlorophenoxy)-N-[(3-hydroxycyclobutyl)methyl]propanamide
SMILESCC(Oc1cccc(Cl)c1)C(=O)NCC1CC(O)C1
InChIInChI=1S/C14H18ClNO3/c1-9(19-13-4-2-3-11(15)7-13)14(18)16-8-10-5-12(17)6-10/h2-4,7,9-10,12,17H,5-6,8H2,1H3,(H,16,18)
InChIKeyJUFJZUNQYJMOHQ-UHFFFAOYSA-N
MW283.75 g/mol
LogP1.99
Rot. Bonds5

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

2-(3-chlorophenoxy)-N-[(3-hydroxycyclobutyl)methyl]propanamide (PubChem CID 66006623) has the molecular formula C14H18ClNO3 and a molecular weight of 283.75 g/mol. Its IUPAC name is 2-(3-chlorophenoxy)-N-[(3-hydroxycyclobutyl)methyl]propanamide.

Molecular Properties

Compound Name2-(3-chlorophenoxy)-N-[(3-hydroxycyclobutyl)methyl]propanamide
PubChem CID66006623
Molecular FormulaC14H18ClNO3
Molecular Weight283.75 g/mol
Exact Mass283.10
IUPAC Name2-(3-chlorophenoxy)-N-[(3-hydroxycyclobutyl)methyl]propanamide
SMILESCC(Oc1cccc(Cl)c1)C(=O)NCC1CC(O)C1
InChIInChI=1S/C14H18ClNO3/c1-9(19-13-4-2-3-11(15)7-13)14(18)16-8-10-5-12(17)6-10/h2-4,7,9-10,12,17H,5-6,8H2,1H3,(H,16,18)
InChIKeyJUFJZUNQYJMOHQ-UHFFFAOYSA-N
XLogP1.99
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.75
LogP ≤ 51.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(2R)-2-(3-chlorophenoxy)-N-[2-[[(2R)-2-(3-chlorophenoxy)propanoyl]amino]ethyl]propanamide
CID 2165550
(2R)-2-(3-chlorophenoxy)-N-[[(3R)-1,1-dioxothiolan-3-yl]methyl]propanamide
CID 94006431
(2S)-2-(3-chlorophenoxy)-N-(2-methylpropyl)propanamide
CID 966270
(2S)-2-(3-chlorophenoxy)-N-cyclopropylpropanamide
CID 7722254
2-(3-chlorophenoxy)-N-(oxolan-2-ylmethyl)propanamide
CID 2932985
N-(2-amino-2-methylpropyl)-2-(3-chlorophenoxy)propanamide
CID 81483033
2-(3-chlorophenoxy)-N-[[4-[(4-hydroxypiperidin-1-yl)methyl]phenyl]methyl]propanamide
CID 56551881
(2S)-N-(2-tert-butylsulfanylethyl)-2-(3-chlorophenoxy)propanamide
CID 94012025
2-(3-chlorophenoxy)-N-[2-(ethylamino)ethyl]propanamide;hydrochloride
CID 119506597
(2S)-2-(3-chlorophenoxy)-N-[(2-chlorophenyl)methyl]propanamide
CID 894862
3-[2-(3-chlorophenoxy)propanoylamino]cyclopentane-1-carboxylic acid
CID 66032691
2-(3-chlorophenoxy)propanehydrazide
CID 2832641

Frequently Asked Questions

What is the IUPAC name of 2-(3-chlorophenoxy)-N-[(3-hydroxycyclobutyl)methyl]propanamide?
The IUPAC name of 2-(3-chlorophenoxy)-N-[(3-hydroxycyclobutyl)methyl]propanamide (CID 66006623) is 2-(3-chlorophenoxy)-N-[(3-hydroxycyclobutyl)methyl]propanamide.
What is the SMILES notation for 2-(3-chlorophenoxy)-N-[(3-hydroxycyclobutyl)methyl]propanamide?
The canonical SMILES for 2-(3-chlorophenoxy)-N-[(3-hydroxycyclobutyl)methyl]propanamide is CC(Oc1cccc(Cl)c1)C(=O)NCC1CC(O)C1.
What is the InChIKey of 2-(3-chlorophenoxy)-N-[(3-hydroxycyclobutyl)methyl]propanamide?
The InChIKey is JUFJZUNQYJMOHQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18ClNO3/c1-9(19-13-4-2-3-11(15)7-13)14(18)16-8-10-5-12(17)6-10/h2-4,7,9-10,12,17H,5-6,8H2,1H3,(H,16,18).
What are the key properties of 2-(3-chlorophenoxy)-N-[(3-hydroxycyclobutyl)methyl]propanamide?
2-(3-chlorophenoxy)-N-[(3-hydroxycyclobutyl)methyl]propanamide has a molecular weight of 283.75 g/mol, XLogP of 1.99, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-chlorophenoxy)-N-[(3-hydroxycyclobutyl)methyl]propanamide is sourced from PubChem (CID 66006623), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).