1-N',1-N'-bis(3-ethyl-3-hydroxypentan-2-yl)cyclopropane-1,1-dicarboxamide

C19H36N2O4 — CID 77217546

IUPAC1-N',1-N'-bis(3-ethyl-3-hydroxypentan-2-yl)cyclopropane-1,1-dicarboxamide
SMILESCCC(O)(CC)C(C)N(C(=O)C1(C(N)=O)CC1)C(C)C(O)(CC)CC
InChIInChI=1S/C19H36N2O4/c1-7-18(24,8-2)13(5)21(14(6)19(25,9-3)10-4)16(23)17(11-12-17)15(20)22/h13-14,24-25H,7-12H2,1-6H3,(H2,20,22)
InChIKeyDTKZSOYDJLPWNB-UHFFFAOYSA-N
MW356.51 g/mol
LogP1.96
Rot. Bonds10

About 1-N',1-N'-bis(3-ethyl-3-hydroxypentan-2-yl)cyclopropane-1,1-dicarboxamide

1-N',1-N'-bis(3-ethyl-3-hydroxypentan-2-yl)cyclopropane-1,1-dicarboxamide (PubChem CID 77217546) has the molecular formula C19H36N2O4 and a molecular weight of 356.51 g/mol. Its IUPAC name is 1-N',1-N'-bis(3-ethyl-3-hydroxypentan-2-yl)cyclopropane-1,1-dicarboxamide.

Molecular Properties

Compound Name1-N',1-N'-bis(3-ethyl-3-hydroxypentan-2-yl)cyclopropane-1,1-dicarboxamide
PubChem CID77217546
Molecular FormulaC19H36N2O4
Molecular Weight356.51 g/mol
Exact Mass356.27
IUPAC Name1-N',1-N'-bis(3-ethyl-3-hydroxypentan-2-yl)cyclopropane-1,1-dicarboxamide
SMILESCCC(O)(CC)C(C)N(C(=O)C1(C(N)=O)CC1)C(C)C(O)(CC)CC
InChIInChI=1S/C19H36N2O4/c1-7-18(24,8-2)13(5)21(14(6)19(25,9-3)10-4)16(23)17(11-12-17)15(20)22/h13-14,24-25H,7-12H2,1-6H3,(H2,20,22)
InChIKeyDTKZSOYDJLPWNB-UHFFFAOYSA-N
XLogP1.96
TPSA103.86 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.51
LogP ≤ 51.96
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(3-ethyl-3-hydroxypentan-2-yl)cyclopentane-1,1-dicarboxamide
CID 77217685
1-N',1-N'-bis(4-ethyl-4-hydroxy-2-methylhexan-3-yl)cyclopropane-1,1-dicarboxamide
CID 77217665
1-N',1-N'-bis[(3R)-4-hydroxy-2-methyl-4-propylheptan-3-yl]cyclopropane-1,1-dicarboxamide
CID 66923691
1-N',1-N'-bis[(2S)-1-hydroxy-3,3-dimethylbutan-2-yl]cyclopropane-1,1-dicarboxamide
CID 66923528
1-N',1-N'-bis(2-benzyl-2-hydroxy-4-methyl-1-phenylpentan-3-yl)cyclopropane-1,1-dicarboxamide
CID 77217573
1-N',1-N'-bis[(2R)-1-hydroxy-1,1-diphenylpropan-2-yl]cyclohexane-1,1-dicarboxamide
CID 66923989
1-N',1-N'-bis[(1R)-1-(1-hydroxycyclobutyl)-3-methylbutyl]cyclohexane-1,1-dicarboxamide
CID 66923965
1-N',1-N'-bis[1-(1-hydroxycyclobutyl)ethyl]cyclohexane-1,1-dicarboxamide
CID 77217600
1-N',1-N'-bis(1-hydroxy-4-methyl-1,1-diphenylpentan-2-yl)cyclopropane-1,1-dicarboxamide
CID 77217558
1-N',1-N'-bis[(1R)-2-hydroxy-1-phenyl-2-propylpentyl]cyclopentane-1,1-dicarboxamide
CID 66923656
1-N',1-N'-bis(2-benzyl-2-hydroxy-4-methyl-1-phenylpentan-3-yl)cyclopentane-1,1-dicarboxamide
CID 77217710
1-N',1-N'-bis[(2R)-1-hydroxy-4-methylpentan-2-yl]cyclopentane-1,1-dicarboxamide
CID 66923890

Frequently Asked Questions

What is the IUPAC name of 1-N',1-N'-bis(3-ethyl-3-hydroxypentan-2-yl)cyclopropane-1,1-dicarboxamide?
The IUPAC name of 1-N',1-N'-bis(3-ethyl-3-hydroxypentan-2-yl)cyclopropane-1,1-dicarboxamide (CID 77217546) is 1-N',1-N'-bis(3-ethyl-3-hydroxypentan-2-yl)cyclopropane-1,1-dicarboxamide.
What is the SMILES notation for 1-N',1-N'-bis(3-ethyl-3-hydroxypentan-2-yl)cyclopropane-1,1-dicarboxamide?
The canonical SMILES for 1-N',1-N'-bis(3-ethyl-3-hydroxypentan-2-yl)cyclopropane-1,1-dicarboxamide is CCC(O)(CC)C(C)N(C(=O)C1(C(N)=O)CC1)C(C)C(O)(CC)CC.
What is the InChIKey of 1-N',1-N'-bis(3-ethyl-3-hydroxypentan-2-yl)cyclopropane-1,1-dicarboxamide?
The InChIKey is DTKZSOYDJLPWNB-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H36N2O4/c1-7-18(24,8-2)13(5)21(14(6)19(25,9-3)10-4)16(23)17(11-12-17)15(20)22/h13-14,24-25H,7-12H2,1-6H3,(H2,20,22).
What are the key properties of 1-N',1-N'-bis(3-ethyl-3-hydroxypentan-2-yl)cyclopropane-1,1-dicarboxamide?
1-N',1-N'-bis(3-ethyl-3-hydroxypentan-2-yl)cyclopropane-1,1-dicarboxamide has a molecular weight of 356.51 g/mol, XLogP of 1.96, 10 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(3-ethyl-3-hydroxypentan-2-yl)cyclopropane-1,1-dicarboxamide is sourced from PubChem (CID 77217546), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).