1-N',1-N'-bis[1-(1-hydroxycyclobutyl)ethyl]cyclohexane-1,1-dicarboxamide

C20H34N2O4 — CID 77217600

IUPAC1-N',1-N'-bis[1-(1-hydroxycyclobutyl)ethyl]cyclohexane-1,1-dicarboxamide
SMILESCC(N(C(=O)C1(C(N)=O)CCCCC1)C(C)C1(O)CCC1)C1(O)CCC1
InChIInChI=1S/C20H34N2O4/c1-14(19(25)10-6-11-19)22(15(2)20(26)12-7-13-20)17(24)18(16(21)23)8-4-3-5-9-18/h14-15,25-26H,3-13H2,1-2H3,(H2,21,23)
InChIKeySPBVRVQXQUQQDS-UHFFFAOYSA-N
MW366.50 g/mol
LogP1.86
Rot. Bonds6

About 1-N',1-N'-bis[1-(1-hydroxycyclobutyl)ethyl]cyclohexane-1,1-dicarboxamide

1-N',1-N'-bis[1-(1-hydroxycyclobutyl)ethyl]cyclohexane-1,1-dicarboxamide (PubChem CID 77217600) has the molecular formula C20H34N2O4 and a molecular weight of 366.50 g/mol. Its IUPAC name is 1-N',1-N'-bis[1-(1-hydroxycyclobutyl)ethyl]cyclohexane-1,1-dicarboxamide.

Molecular Properties

Compound Name1-N',1-N'-bis[1-(1-hydroxycyclobutyl)ethyl]cyclohexane-1,1-dicarboxamide
PubChem CID77217600
Molecular FormulaC20H34N2O4
Molecular Weight366.50 g/mol
Exact Mass366.25
IUPAC Name1-N',1-N'-bis[1-(1-hydroxycyclobutyl)ethyl]cyclohexane-1,1-dicarboxamide
SMILESCC(N(C(=O)C1(C(N)=O)CCCCC1)C(C)C1(O)CCC1)C1(O)CCC1
InChIInChI=1S/C20H34N2O4/c1-14(19(25)10-6-11-19)22(15(2)20(26)12-7-13-20)17(24)18(16(21)23)8-4-3-5-9-18/h14-15,25-26H,3-13H2,1-2H3,(H2,21,23)
InChIKeySPBVRVQXQUQQDS-UHFFFAOYSA-N
XLogP1.86
TPSA103.86 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.50
LogP ≤ 51.86
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

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Related Compounds

1-N',1-N'-bis[(1R)-1-(1-hydroxycyclobutyl)-3-methylbutyl]cyclohexane-1,1-dicarboxamide
CID 66923965
1-N',1-N'-bis(3-ethyl-3-hydroxypentan-2-yl)cyclopentane-1,1-dicarboxamide
CID 77217685
1-N',1-N'-bis[(2R)-1-hydroxy-1,1-diphenylpropan-2-yl]cyclohexane-1,1-dicarboxamide
CID 66923989
1-N',1-N'-bis[(2R)-1-hydroxy-4-methylpentan-2-yl]cyclopentane-1,1-dicarboxamide
CID 66923890
1-N',1-N'-bis[1-(1-hydroxycyclobutyl)-2-phenylethyl]cyclopentane-1,1-dicarboxamide
CID 77217431
1-N',1-N'-bis(3-ethyl-3-hydroxypentan-2-yl)cyclopropane-1,1-dicarboxamide
CID 77217546
1-N',1-N'-bis[(2R)-1-hydroxy-3,3-dimethyl-1,1-bis(4-methylphenyl)butan-2-yl]cyclobutane-1,1-dicarboxamide
CID 66923881
1-N',1-N'-bis[(1-hydroxycyclopropyl)-naphthalen-1-ylmethyl]cyclopentane-1,1-dicarboxamide
CID 66807886
1-N',1-N'-bis[1-hydroxy-4-methyl-1,1-bis(4-methylphenyl)pentan-2-yl]cyclohexane-1,1-dicarboxamide
CID 77217456
2-methylpropanoic acid;1-propan-2-ylcyclohexan-1-ol
CID 174748653
N-cyclopropyl-1-(N'-hydroxycarbamimidoyl)-N-methylcycloheptane-1-carboxamide
CID 76919966
1-N',1-N'-bis(2-benzyl-2-hydroxy-1,3-diphenylpropyl)cyclohexane-1,1-dicarboxamide
CID 77217436

Frequently Asked Questions

What is the IUPAC name of 1-N',1-N'-bis[1-(1-hydroxycyclobutyl)ethyl]cyclohexane-1,1-dicarboxamide?
The IUPAC name of 1-N',1-N'-bis[1-(1-hydroxycyclobutyl)ethyl]cyclohexane-1,1-dicarboxamide (CID 77217600) is 1-N',1-N'-bis[1-(1-hydroxycyclobutyl)ethyl]cyclohexane-1,1-dicarboxamide.
What is the SMILES notation for 1-N',1-N'-bis[1-(1-hydroxycyclobutyl)ethyl]cyclohexane-1,1-dicarboxamide?
The canonical SMILES for 1-N',1-N'-bis[1-(1-hydroxycyclobutyl)ethyl]cyclohexane-1,1-dicarboxamide is CC(N(C(=O)C1(C(N)=O)CCCCC1)C(C)C1(O)CCC1)C1(O)CCC1.
What is the InChIKey of 1-N',1-N'-bis[1-(1-hydroxycyclobutyl)ethyl]cyclohexane-1,1-dicarboxamide?
The InChIKey is SPBVRVQXQUQQDS-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H34N2O4/c1-14(19(25)10-6-11-19)22(15(2)20(26)12-7-13-20)17(24)18(16(21)23)8-4-3-5-9-18/h14-15,25-26H,3-13H2,1-2H3,(H2,21,23).
What are the key properties of 1-N',1-N'-bis[1-(1-hydroxycyclobutyl)ethyl]cyclohexane-1,1-dicarboxamide?
1-N',1-N'-bis[1-(1-hydroxycyclobutyl)ethyl]cyclohexane-1,1-dicarboxamide has a molecular weight of 366.50 g/mol, XLogP of 1.86, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N',1-N'-bis[1-(1-hydroxycyclobutyl)ethyl]cyclohexane-1,1-dicarboxamide is sourced from PubChem (CID 77217600), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).