1-cyano-N-(4-hydroxy-1-methoxybutan-2-yl)cyclobutane-1-carboxamide

C11H18N2O3 — CID 103799399

IUPAC1-cyano-N-(4-hydroxy-1-methoxybutan-2-yl)cyclobutane-1-carboxamide
SMILESCOCC(CCO)NC(=O)C1(C#N)CCC1
InChIInChI=1S/C11H18N2O3/c1-16-7-9(3-6-14)13-10(15)11(8-12)4-2-5-11/h9,14H,2-7H2,1H3,(H,13,15)
InChIKeyVDEJXOHCAVDFER-UHFFFAOYSA-N
MW226.28 g/mol
LogP0.19
Rot. Bonds6

About 1-cyano-N-(4-hydroxy-1-methoxybutan-2-yl)cyclobutane-1-carboxamide

1-cyano-N-(4-hydroxy-1-methoxybutan-2-yl)cyclobutane-1-carboxamide (PubChem CID 103799399) has the molecular formula C11H18N2O3 and a molecular weight of 226.28 g/mol. Its IUPAC name is 1-cyano-N-(4-hydroxy-1-methoxybutan-2-yl)cyclobutane-1-carboxamide.

Molecular Properties

Compound Name1-cyano-N-(4-hydroxy-1-methoxybutan-2-yl)cyclobutane-1-carboxamide
PubChem CID103799399
Molecular FormulaC11H18N2O3
Molecular Weight226.28 g/mol
Exact Mass226.13
IUPAC Name1-cyano-N-(4-hydroxy-1-methoxybutan-2-yl)cyclobutane-1-carboxamide
SMILESCOCC(CCO)NC(=O)C1(C#N)CCC1
InChIInChI=1S/C11H18N2O3/c1-16-7-9(3-6-14)13-10(15)11(8-12)4-2-5-11/h9,14H,2-7H2,1H3,(H,13,15)
InChIKeyVDEJXOHCAVDFER-UHFFFAOYSA-N
XLogP0.19
TPSA82.35 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.28
LogP ≤ 50.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-cyano-N-(1,3-dihydroxypropan-2-yl)cyclobutane-1-carboxamide
CID 80592453
1-(aminomethyl)-N-(4-hydroxy-1-methoxybutan-2-yl)cyclohexane-1-carboxamide
CID 106161157
N-(4-hydroxy-1-methoxybutan-2-yl)-2-methylpiperidine-2-carboxamide
CID 106161126
methyl 2-[(1-cyanocyclobutanecarbonyl)amino]propanoate
CID 80599690
1-cyano-N-hexan-3-ylcyclohexane-1-carboxamide
CID 62045712
N-(4-hydroxy-1-methoxybutan-2-yl)-3-methylpiperidine-3-carboxamide
CID 103950700
1-cyano-N-(1-hydroxy-3-methylbutan-2-yl)cyclopentane-1-carboxamide
CID 79250293
N-butan-2-yl-1-cyanocyclobutane-1-carboxamide
CID 78994718
1-cyano-N-(3-methoxypropyl)cyclobutane-1-carboxamide
CID 78994504
1-cyano-N-(1-hydroxy-4,4-dimethylpentan-3-yl)cyclopropane-1-carboxamide
CID 106350128
1-cyano-N-pentan-2-ylcyclopentane-1-carboxamide
CID 55025382
1-cyano-N-[(2S)-1-hydroxypropan-2-yl]cyclohexane-1-carboxamide
CID 103820750

Frequently Asked Questions

What is the IUPAC name of 1-cyano-N-(4-hydroxy-1-methoxybutan-2-yl)cyclobutane-1-carboxamide?
The IUPAC name of 1-cyano-N-(4-hydroxy-1-methoxybutan-2-yl)cyclobutane-1-carboxamide (CID 103799399) is 1-cyano-N-(4-hydroxy-1-methoxybutan-2-yl)cyclobutane-1-carboxamide.
What is the SMILES notation for 1-cyano-N-(4-hydroxy-1-methoxybutan-2-yl)cyclobutane-1-carboxamide?
The canonical SMILES for 1-cyano-N-(4-hydroxy-1-methoxybutan-2-yl)cyclobutane-1-carboxamide is COCC(CCO)NC(=O)C1(C#N)CCC1.
What is the InChIKey of 1-cyano-N-(4-hydroxy-1-methoxybutan-2-yl)cyclobutane-1-carboxamide?
The InChIKey is VDEJXOHCAVDFER-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N2O3/c1-16-7-9(3-6-14)13-10(15)11(8-12)4-2-5-11/h9,14H,2-7H2,1H3,(H,13,15).
What are the key properties of 1-cyano-N-(4-hydroxy-1-methoxybutan-2-yl)cyclobutane-1-carboxamide?
1-cyano-N-(4-hydroxy-1-methoxybutan-2-yl)cyclobutane-1-carboxamide has a molecular weight of 226.28 g/mol, XLogP of 0.19, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyano-N-(4-hydroxy-1-methoxybutan-2-yl)cyclobutane-1-carboxamide is sourced from PubChem (CID 103799399), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).