3-(3,4-dimethylphenoxy)-N-[(1-hydroxycyclobutyl)methyl]propanamide

C16H23NO3 — CID 111539418

IUPAC3-(3,4-dimethylphenoxy)-N-[(1-hydroxycyclobutyl)methyl]propanamide
SMILESCc1ccc(OCCC(=O)NCC2(O)CCC2)cc1C
InChIInChI=1S/C16H23NO3/c1-12-4-5-14(10-13(12)2)20-9-6-15(18)17-11-16(19)7-3-8-16/h4-5,10,19H,3,6-9,11H2,1-2H3,(H,17,18)
InChIKeyIXPVSEXMQAXRES-UHFFFAOYSA-N
MW277.36 g/mol
LogP2.10
Rot. Bonds6

About 3-(3,4-dimethylphenoxy)-N-[(1-hydroxycyclobutyl)methyl]propanamide

3-(3,4-dimethylphenoxy)-N-[(1-hydroxycyclobutyl)methyl]propanamide (PubChem CID 111539418) has the molecular formula C16H23NO3 and a molecular weight of 277.36 g/mol. Its IUPAC name is 3-(3,4-dimethylphenoxy)-N-[(1-hydroxycyclobutyl)methyl]propanamide.

Molecular Properties

Compound Name3-(3,4-dimethylphenoxy)-N-[(1-hydroxycyclobutyl)methyl]propanamide
PubChem CID111539418
Molecular FormulaC16H23NO3
Molecular Weight277.36 g/mol
Exact Mass277.17
IUPAC Name3-(3,4-dimethylphenoxy)-N-[(1-hydroxycyclobutyl)methyl]propanamide
SMILESCc1ccc(OCCC(=O)NCC2(O)CCC2)cc1C
InChIInChI=1S/C16H23NO3/c1-12-4-5-14(10-13(12)2)20-9-6-15(18)17-11-16(19)7-3-8-16/h4-5,10,19H,3,6-9,11H2,1-2H3,(H,17,18)
InChIKeyIXPVSEXMQAXRES-UHFFFAOYSA-N
XLogP2.10
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.36
LogP ≤ 52.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-(3,4-dimethylphenoxy)-N-[(1-hydroxycyclobutyl)methyl]butanamide
CID 111560556
N-[(1-hydroxycyclobutyl)methyl]-3-(2,3,5-trimethylphenoxy)propanamide
CID 111539630
4-(4-bromophenoxy)-N-[(1-hydroxycyclobutyl)methyl]butanamide
CID 115668822
3-(3,4-dimethylphenoxy)-N-(pyrrolidin-2-ylmethyl)propanamide
CID 119514495
3-[3-(3,4-dimethylphenoxy)propanoylamino]-2-methylpropanoic acid
CID 62676390
3-(3,4-dimethylphenoxy)-N-(2-pyrimidin-2-ylethyl)propanamide
CID 138049489
(3S)-3-[3-(3,4-dimethylphenoxy)propanoylamino]thiolane-3-carboxylic acid
CID 125136905
3-(2-aminophenoxy)-N-[(1-hydroxycyclopentyl)methyl]propanamide
CID 65103822
3-(3,4-dimethylphenoxy)-N-(5-methyl-2-pyridinyl)propanamide
CID 47023614
N-[(1-hydroxycyclobutyl)methyl]-2-naphthalen-2-yloxyacetamide
CID 111445201
N-[(1-hydroxycyclopentyl)methyl]-4-(2-methylphenyl)butanamide
CID 110427466
3-(3,4-dimethylphenoxy)-N-(5-hydroxy-4-methylpentyl)propanamide
CID 103861596

Frequently Asked Questions

What is the IUPAC name of 3-(3,4-dimethylphenoxy)-N-[(1-hydroxycyclobutyl)methyl]propanamide?
The IUPAC name of 3-(3,4-dimethylphenoxy)-N-[(1-hydroxycyclobutyl)methyl]propanamide (CID 111539418) is 3-(3,4-dimethylphenoxy)-N-[(1-hydroxycyclobutyl)methyl]propanamide.
What is the SMILES notation for 3-(3,4-dimethylphenoxy)-N-[(1-hydroxycyclobutyl)methyl]propanamide?
The canonical SMILES for 3-(3,4-dimethylphenoxy)-N-[(1-hydroxycyclobutyl)methyl]propanamide is Cc1ccc(OCCC(=O)NCC2(O)CCC2)cc1C.
What is the InChIKey of 3-(3,4-dimethylphenoxy)-N-[(1-hydroxycyclobutyl)methyl]propanamide?
The InChIKey is IXPVSEXMQAXRES-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23NO3/c1-12-4-5-14(10-13(12)2)20-9-6-15(18)17-11-16(19)7-3-8-16/h4-5,10,19H,3,6-9,11H2,1-2H3,(H,17,18).
What are the key properties of 3-(3,4-dimethylphenoxy)-N-[(1-hydroxycyclobutyl)methyl]propanamide?
3-(3,4-dimethylphenoxy)-N-[(1-hydroxycyclobutyl)methyl]propanamide has a molecular weight of 277.36 g/mol, XLogP of 2.10, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3,4-dimethylphenoxy)-N-[(1-hydroxycyclobutyl)methyl]propanamide is sourced from PubChem (CID 111539418), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).