N-(3-hydroxy-4-methoxybutyl)-1-(3-methylphenyl)cyclobutane-1-carboxamide

C17H25NO3 — CID 103876725

IUPACN-(3-hydroxy-4-methoxybutyl)-1-(3-methylphenyl)cyclobutane-1-carboxamide
SMILESCOCC(O)CCNC(=O)C1(c2cccc(C)c2)CCC1
InChIInChI=1S/C17H25NO3/c1-13-5-3-6-14(11-13)17(8-4-9-17)16(20)18-10-7-15(19)12-21-2/h3,5-6,11,15,19H,4,7-10,12H2,1-2H3,(H,18,20)
InChIKeyYZTUTCREJQGOMG-UHFFFAOYSA-N
MW291.39 g/mol
LogP1.93
Rot. Bonds7

About N-(3-hydroxy-4-methoxybutyl)-1-(3-methylphenyl)cyclobutane-1-carboxamide

N-(3-hydroxy-4-methoxybutyl)-1-(3-methylphenyl)cyclobutane-1-carboxamide (PubChem CID 103876725) has the molecular formula C17H25NO3 and a molecular weight of 291.39 g/mol. Its IUPAC name is N-(3-hydroxy-4-methoxybutyl)-1-(3-methylphenyl)cyclobutane-1-carboxamide.

Molecular Properties

Compound NameN-(3-hydroxy-4-methoxybutyl)-1-(3-methylphenyl)cyclobutane-1-carboxamide
PubChem CID103876725
Molecular FormulaC17H25NO3
Molecular Weight291.39 g/mol
Exact Mass291.18
IUPAC NameN-(3-hydroxy-4-methoxybutyl)-1-(3-methylphenyl)cyclobutane-1-carboxamide
SMILESCOCC(O)CCNC(=O)C1(c2cccc(C)c2)CCC1
InChIInChI=1S/C17H25NO3/c1-13-5-3-6-14(11-13)17(8-4-9-17)16(20)18-10-7-15(19)12-21-2/h3,5-6,11,15,19H,4,7-10,12H2,1-2H3,(H,18,20)
InChIKeyYZTUTCREJQGOMG-UHFFFAOYSA-N
XLogP1.93
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 ≤ 51.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(3-hydroxy-4-methoxybutyl)-1-phenylcyclopropane-1-carboxamide
CID 103876902
N-[2-(ethylamino)ethyl]-1-(3-methylphenyl)cyclopentane-1-carboxamide
CID 119507604
4-[[1-(3-methylphenyl)cyclopentanecarbonyl]amino]butanoic acid
CID 119170628
N-(2-chloroprop-2-enyl)-1-(3-methylphenyl)cyclobutane-1-carboxamide
CID 113238634
N-[(1-hydroxycyclobutyl)methyl]-1-(3-methylphenyl)cyclopentane-1-carboxamide
CID 111445825
N-(2-hydroxy-2-methylpropyl)-1-(3-methylphenyl)cyclobutane-1-carboxamide
CID 65109762
methyl 1-(3-methylphenyl)cyclobutane-1-carboxylate
CID 112724218
1-[[[1-(3-methylphenyl)cyclobutanecarbonyl]amino]methyl]cyclopropane-1-carboxylic acid
CID 115449997
N-(1-hydroxy-4-methylpentan-2-yl)-1-(3-methylphenyl)cyclobutane-1-carboxamide
CID 61245451
[(3R,4S)-3,4-dihydroxypyrrolidin-1-yl]-[1-(3-methylphenyl)cyclobutyl]methanone
CID 79410950
propan-2-yl 1-(3-methylphenyl)cyclobutane-1-carboxylate
CID 112724219
N-[3,5-dimethyl-4-(2-methylpropoxy)phenyl]-1-(3-methylphenyl)cyclopentane-1-carboxamide
CID 100661111

Frequently Asked Questions

What is the IUPAC name of N-(3-hydroxy-4-methoxybutyl)-1-(3-methylphenyl)cyclobutane-1-carboxamide?
The IUPAC name of N-(3-hydroxy-4-methoxybutyl)-1-(3-methylphenyl)cyclobutane-1-carboxamide (CID 103876725) is N-(3-hydroxy-4-methoxybutyl)-1-(3-methylphenyl)cyclobutane-1-carboxamide.
What is the SMILES notation for N-(3-hydroxy-4-methoxybutyl)-1-(3-methylphenyl)cyclobutane-1-carboxamide?
The canonical SMILES for N-(3-hydroxy-4-methoxybutyl)-1-(3-methylphenyl)cyclobutane-1-carboxamide is COCC(O)CCNC(=O)C1(c2cccc(C)c2)CCC1.
What is the InChIKey of N-(3-hydroxy-4-methoxybutyl)-1-(3-methylphenyl)cyclobutane-1-carboxamide?
The InChIKey is YZTUTCREJQGOMG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25NO3/c1-13-5-3-6-14(11-13)17(8-4-9-17)16(20)18-10-7-15(19)12-21-2/h3,5-6,11,15,19H,4,7-10,12H2,1-2H3,(H,18,20).
What are the key properties of N-(3-hydroxy-4-methoxybutyl)-1-(3-methylphenyl)cyclobutane-1-carboxamide?
N-(3-hydroxy-4-methoxybutyl)-1-(3-methylphenyl)cyclobutane-1-carboxamide has a molecular weight of 291.39 g/mol, XLogP of 1.93, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-hydroxy-4-methoxybutyl)-1-(3-methylphenyl)cyclobutane-1-carboxamide is sourced from PubChem (CID 103876725), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).