1-N,1-N'-bis(1-hydroxy-4-methylpentan-2-yl)cyclohexane-1,1-dicarboxamide

C20H38N2O4 — CID 23141188

IUPAC1-N,1-N'-bis(1-hydroxy-4-methylpentan-2-yl)cyclohexane-1,1-dicarboxamide
SMILESCC(C)CC(CO)NC(=O)C1(C(=O)NC(CO)CC(C)C)CCCCC1
InChIInChI=1S/C20H38N2O4/c1-14(2)10-16(12-23)21-18(25)20(8-6-5-7-9-20)19(26)22-17(13-24)11-15(3)4/h14-17,23-24H,5-13H2,1-4H3,(H,21,25)(H,22,26)
InChIKeyISSADJUUOIYGRY-UHFFFAOYSA-N
MW370.53 g/mol
LogP1.98
Rot. Bonds10

About 1-N,1-N'-bis(1-hydroxy-4-methylpentan-2-yl)cyclohexane-1,1-dicarboxamide

1-N,1-N'-bis(1-hydroxy-4-methylpentan-2-yl)cyclohexane-1,1-dicarboxamide (PubChem CID 23141188) has the molecular formula C20H38N2O4 and a molecular weight of 370.53 g/mol. Its IUPAC name is 1-N,1-N'-bis(1-hydroxy-4-methylpentan-2-yl)cyclohexane-1,1-dicarboxamide.

Molecular Properties

Compound Name1-N,1-N'-bis(1-hydroxy-4-methylpentan-2-yl)cyclohexane-1,1-dicarboxamide
PubChem CID23141188
Molecular FormulaC20H38N2O4
Molecular Weight370.53 g/mol
Exact Mass370.28
IUPAC Name1-N,1-N'-bis(1-hydroxy-4-methylpentan-2-yl)cyclohexane-1,1-dicarboxamide
SMILESCC(C)CC(CO)NC(=O)C1(C(=O)NC(CO)CC(C)C)CCCCC1
InChIInChI=1S/C20H38N2O4/c1-14(2)10-16(12-23)21-18(25)20(8-6-5-7-9-20)19(26)22-17(13-24)11-15(3)4/h14-17,23-24H,5-13H2,1-4H3,(H,21,25)(H,22,26)
InChIKeyISSADJUUOIYGRY-UHFFFAOYSA-N
XLogP1.98
TPSA98.66 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.53
LogP ≤ 51.98
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-[1-[2-[(1-hydroxy-4-methylpentan-2-yl)amino]-2-oxoethyl]cyclopentyl]acetic acid
CID 61246423
1-(1-hydroxy-4-methylpentan-2-yl)-3-propan-2-ylurea
CID 61246689
N-(1-hydroxy-4-methylpentan-2-yl)cycloheptanecarboxamide
CID 62588514
N-(1-hydroxy-4-methylpentan-2-yl)-1-phenylcyclopropane-1-carboxamide
CID 61246338
propan-2-yl (2R)-3-hydroxy-2-[[1-[[(2R)-3-hydroxy-1-oxo-1-propan-2-yloxypropan-2-yl]carbamoyl]cyclohexanecarbonyl]amino]propanoate
CID 90449531
1-N,1-N'-bis[(4R)-5-hydroxy-2-methyl-5-propyloctan-4-yl]cyclopentane-1,1-dicarboxamide
CID 66923569
2-(1-aminocyclobutyl)-N-(1-hydroxy-4-methylpentan-2-yl)acetamide
CID 79853679
1-(4-chlorophenyl)-N-[(2R)-1-hydroxy-4-methylpentan-2-yl]cyclopropane-1-carboxamide
CID 11543898
N-(1-bromo-4-methylpentan-2-yl)-1-(2-methylpropyl)cyclopentane-1-carboxamide
CID 114311733
N-(1-hydroxy-4-methylpentan-2-yl)-1-(3-methylphenyl)cyclobutane-1-carboxamide
CID 61245451
N-(1-hydroxy-4-methylpentan-2-yl)cyclopropanecarboxamide
CID 61246468
1-amino-N-[1-(dimethylamino)-4-methylpentan-2-yl]cyclopentane-1-carboxamide
CID 54924699

Frequently Asked Questions

What is the IUPAC name of 1-N,1-N'-bis(1-hydroxy-4-methylpentan-2-yl)cyclohexane-1,1-dicarboxamide?
The IUPAC name of 1-N,1-N'-bis(1-hydroxy-4-methylpentan-2-yl)cyclohexane-1,1-dicarboxamide (CID 23141188) is 1-N,1-N'-bis(1-hydroxy-4-methylpentan-2-yl)cyclohexane-1,1-dicarboxamide.
What is the SMILES notation for 1-N,1-N'-bis(1-hydroxy-4-methylpentan-2-yl)cyclohexane-1,1-dicarboxamide?
The canonical SMILES for 1-N,1-N'-bis(1-hydroxy-4-methylpentan-2-yl)cyclohexane-1,1-dicarboxamide is CC(C)CC(CO)NC(=O)C1(C(=O)NC(CO)CC(C)C)CCCCC1.
What is the InChIKey of 1-N,1-N'-bis(1-hydroxy-4-methylpentan-2-yl)cyclohexane-1,1-dicarboxamide?
The InChIKey is ISSADJUUOIYGRY-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H38N2O4/c1-14(2)10-16(12-23)21-18(25)20(8-6-5-7-9-20)19(26)22-17(13-24)11-15(3)4/h14-17,23-24H,5-13H2,1-4H3,(H,21,25)(H,22,26).
What are the key properties of 1-N,1-N'-bis(1-hydroxy-4-methylpentan-2-yl)cyclohexane-1,1-dicarboxamide?
1-N,1-N'-bis(1-hydroxy-4-methylpentan-2-yl)cyclohexane-1,1-dicarboxamide has a molecular weight of 370.53 g/mol, XLogP of 1.98, 10 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N,1-N'-bis(1-hydroxy-4-methylpentan-2-yl)cyclohexane-1,1-dicarboxamide is sourced from PubChem (CID 23141188), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).