N-[(1-hydroxycyclobutyl)methyl]-3-(2,3,5-trimethylphenoxy)propanamide

C17H25NO3 — CID 111539630

IUPACN-[(1-hydroxycyclobutyl)methyl]-3-(2,3,5-trimethylphenoxy)propanamide
SMILESCc1cc(C)c(C)c(OCCC(=O)NCC2(O)CCC2)c1
InChIInChI=1S/C17H25NO3/c1-12-9-13(2)14(3)15(10-12)21-8-5-16(19)18-11-17(20)6-4-7-17/h9-10,20H,4-8,11H2,1-3H3,(H,18,19)
InChIKeyIWJDXGDLLIMHOR-UHFFFAOYSA-N
MW291.39 g/mol
LogP2.41
Rot. Bonds6

About N-[(1-hydroxycyclobutyl)methyl]-3-(2,3,5-trimethylphenoxy)propanamide

N-[(1-hydroxycyclobutyl)methyl]-3-(2,3,5-trimethylphenoxy)propanamide (PubChem CID 111539630) has the molecular formula C17H25NO3 and a molecular weight of 291.39 g/mol. Its IUPAC name is N-[(1-hydroxycyclobutyl)methyl]-3-(2,3,5-trimethylphenoxy)propanamide.

Molecular Properties

Compound NameN-[(1-hydroxycyclobutyl)methyl]-3-(2,3,5-trimethylphenoxy)propanamide
PubChem CID111539630
Molecular FormulaC17H25NO3
Molecular Weight291.39 g/mol
Exact Mass291.18
IUPAC NameN-[(1-hydroxycyclobutyl)methyl]-3-(2,3,5-trimethylphenoxy)propanamide
SMILESCc1cc(C)c(C)c(OCCC(=O)NCC2(O)CCC2)c1
InChIInChI=1S/C17H25NO3/c1-12-9-13(2)14(3)15(10-12)21-8-5-16(19)18-11-17(20)6-4-7-17/h9-10,20H,4-8,11H2,1-3H3,(H,18,19)
InChIKeyIWJDXGDLLIMHOR-UHFFFAOYSA-N
XLogP2.41
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.39
LogP ≤ 52.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-[[3-(2,3,5-trimethylphenoxy)propanoylamino]methyl]oxane-4-carboxamide
CID 56783010
1-[(2,3,5-trimethylphenoxy)methyl]cyclopentan-1-ol
CID 65212527
3-(3,4-dimethylphenoxy)-N-[(1-hydroxycyclobutyl)methyl]propanamide
CID 111539418
3-(2,3,5-trimethylphenoxy)propanehydrazide
CID 63575558
N-(3-aminopropyl)-3-(2,3,5-trimethylphenoxy)propanamide
CID 119405735
3-(2,4-dimethylphenoxy)-N-[(3-hydroxyoxolan-3-yl)methyl]propanamide
CID 103848868
3-(2-aminophenoxy)-N-[(1-hydroxycyclopentyl)methyl]propanamide
CID 65103822
4-(3,4-dimethylphenoxy)-N-[(1-hydroxycyclobutyl)methyl]butanamide
CID 111560556
N-(1-amino-2-methylpropan-2-yl)-3-(2,3,5-trimethylphenoxy)propanamide
CID 119522177
N-(2-piperidin-3-ylethyl)-3-(2,3,5-trimethylphenoxy)propanamide;hydrochloride
CID 119555968
1-amino-2-[2-(2,3,5-trimethylphenoxy)ethyl]cyclopentane-1-carboxamide
CID 79586493
N-(2-pyrrolidin-3-ylethyl)-3-(2,3,5-trimethylphenoxy)propanamide
CID 119534432

Frequently Asked Questions

What is the IUPAC name of N-[(1-hydroxycyclobutyl)methyl]-3-(2,3,5-trimethylphenoxy)propanamide?
The IUPAC name of N-[(1-hydroxycyclobutyl)methyl]-3-(2,3,5-trimethylphenoxy)propanamide (CID 111539630) is N-[(1-hydroxycyclobutyl)methyl]-3-(2,3,5-trimethylphenoxy)propanamide.
What is the SMILES notation for N-[(1-hydroxycyclobutyl)methyl]-3-(2,3,5-trimethylphenoxy)propanamide?
The canonical SMILES for N-[(1-hydroxycyclobutyl)methyl]-3-(2,3,5-trimethylphenoxy)propanamide is Cc1cc(C)c(C)c(OCCC(=O)NCC2(O)CCC2)c1.
What is the InChIKey of N-[(1-hydroxycyclobutyl)methyl]-3-(2,3,5-trimethylphenoxy)propanamide?
The InChIKey is IWJDXGDLLIMHOR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25NO3/c1-12-9-13(2)14(3)15(10-12)21-8-5-16(19)18-11-17(20)6-4-7-17/h9-10,20H,4-8,11H2,1-3H3,(H,18,19).
What are the key properties of N-[(1-hydroxycyclobutyl)methyl]-3-(2,3,5-trimethylphenoxy)propanamide?
N-[(1-hydroxycyclobutyl)methyl]-3-(2,3,5-trimethylphenoxy)propanamide has a molecular weight of 291.39 g/mol, XLogP of 2.41, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1-hydroxycyclobutyl)methyl]-3-(2,3,5-trimethylphenoxy)propanamide is sourced from PubChem (CID 111539630), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).