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

C17H25NO3 — CID 111560556

IUPAC4-(3,4-dimethylphenoxy)-N-[(1-hydroxycyclobutyl)methyl]butanamide
SMILESCc1ccc(OCCCC(=O)NCC2(O)CCC2)cc1C
InChIInChI=1S/C17H25NO3/c1-13-6-7-15(11-14(13)2)21-10-3-5-16(19)18-12-17(20)8-4-9-17/h6-7,11,20H,3-5,8-10,12H2,1-2H3,(H,18,19)
InChIKeyKNEKXWLRXVMIGD-UHFFFAOYSA-N
MW291.39 g/mol
LogP2.49
Rot. Bonds7

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

4-(3,4-dimethylphenoxy)-N-[(1-hydroxycyclobutyl)methyl]butanamide (PubChem CID 111560556) has the molecular formula C17H25NO3 and a molecular weight of 291.39 g/mol. Its IUPAC name is 4-(3,4-dimethylphenoxy)-N-[(1-hydroxycyclobutyl)methyl]butanamide.

Molecular Properties

Compound Name4-(3,4-dimethylphenoxy)-N-[(1-hydroxycyclobutyl)methyl]butanamide
PubChem CID111560556
Molecular FormulaC17H25NO3
Molecular Weight291.39 g/mol
Exact Mass291.18
IUPAC Name4-(3,4-dimethylphenoxy)-N-[(1-hydroxycyclobutyl)methyl]butanamide
SMILESCc1ccc(OCCCC(=O)NCC2(O)CCC2)cc1C
InChIInChI=1S/C17H25NO3/c1-13-6-7-15(11-14(13)2)21-10-3-5-16(19)18-12-17(20)8-4-9-17/h6-7,11,20H,3-5,8-10,12H2,1-2H3,(H,18,19)
InChIKeyKNEKXWLRXVMIGD-UHFFFAOYSA-N
XLogP2.49
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.39
LogP ≤ 52.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze 4-(3,4-dimethylphenoxy)-N-[(1-hydroxycyclobutyl)methyl]butanamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-(3,4-dimethylphenoxy)-N-[(1-hydroxycyclobutyl)methyl]propanamide
CID 111539418
4-(4-bromophenoxy)-N-[(1-hydroxycyclobutyl)methyl]butanamide
CID 115668822
N-[(1-hydroxycyclobutyl)methyl]-3-(2,3,5-trimethylphenoxy)propanamide
CID 111539630
N-ethyl-4-(4-formyl-3-methylphenoxy)butanamide
CID 59122301
4-(3,4-dimethylphenoxy)-N-(2-pyrrolidin-3-ylethyl)butanamide;hydrochloride
CID 119538281
N-[(1-hydroxycyclobutyl)methyl]-2-naphthalen-2-yloxyacetamide
CID 111445201
4-(3,4-dimethylphenoxy)-N-(5-methyl-1,3-thiazol-2-yl)butanamide
CID 145420181
dimethyl 1-[4-(3,4-dimethylphenoxy)butanoylamino]cyclohexane-1,4-dicarboxylate
CID 75397955
N-[(1-hydroxycyclobutyl)methyl]-4-(5-methylthiophen-2-yl)butanamide
CID 111859435
1-[4-(4-fluorophenoxy)butyl]-3-[(1-hydroxycyclobutyl)methyl]urea
CID 111438037
N-[(1-hydroxycyclohexyl)methyl]-2-(3-methoxy-4-methylphenyl)acetamide
CID 65113958
4-[(1-hydroxycyclopentyl)methoxy]-2-methylbenzoic acid
CID 107671203

Frequently Asked Questions

What is the IUPAC name of 4-(3,4-dimethylphenoxy)-N-[(1-hydroxycyclobutyl)methyl]butanamide?
The IUPAC name of 4-(3,4-dimethylphenoxy)-N-[(1-hydroxycyclobutyl)methyl]butanamide (CID 111560556) is 4-(3,4-dimethylphenoxy)-N-[(1-hydroxycyclobutyl)methyl]butanamide.
What is the SMILES notation for 4-(3,4-dimethylphenoxy)-N-[(1-hydroxycyclobutyl)methyl]butanamide?
The canonical SMILES for 4-(3,4-dimethylphenoxy)-N-[(1-hydroxycyclobutyl)methyl]butanamide is Cc1ccc(OCCCC(=O)NCC2(O)CCC2)cc1C.
What is the InChIKey of 4-(3,4-dimethylphenoxy)-N-[(1-hydroxycyclobutyl)methyl]butanamide?
The InChIKey is KNEKXWLRXVMIGD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25NO3/c1-13-6-7-15(11-14(13)2)21-10-3-5-16(19)18-12-17(20)8-4-9-17/h6-7,11,20H,3-5,8-10,12H2,1-2H3,(H,18,19).
What are the key properties of 4-(3,4-dimethylphenoxy)-N-[(1-hydroxycyclobutyl)methyl]butanamide?
4-(3,4-dimethylphenoxy)-N-[(1-hydroxycyclobutyl)methyl]butanamide has a molecular weight of 291.39 g/mol, XLogP of 2.49, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3,4-dimethylphenoxy)-N-[(1-hydroxycyclobutyl)methyl]butanamide is sourced from PubChem (CID 111560556), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).