1-N,1-N'-bis[(2R)-1-hydroxy-3-methylbutan-2-yl]cyclopentane-1,1-dicarboxamide

C17H32N2O4 — CID 66923402

IUPAC1-N,1-N'-bis[(2R)-1-hydroxy-3-methylbutan-2-yl]cyclopentane-1,1-dicarboxamide
SMILESCC(C)[C@H](CO)NC(=O)C1(C(=O)N[C@@H](CO)C(C)C)CCCC1
InChIInChI=1S/C17H32N2O4/c1-11(2)13(9-20)18-15(22)17(7-5-6-8-17)16(23)19-14(10-21)12(3)4/h11-14,20-21H,5-10H2,1-4H3,(H,18,22)(H,19,23)/t13-,14-/m0/s1
InChIKeyGSXPQNJOTLJPCQ-KBPBESRZSA-N
MW328.45 g/mol
LogP0.81
Rot. Bonds8

About 1-N,1-N'-bis[(2R)-1-hydroxy-3-methylbutan-2-yl]cyclopentane-1,1-dicarboxamide

1-N,1-N'-bis[(2R)-1-hydroxy-3-methylbutan-2-yl]cyclopentane-1,1-dicarboxamide (PubChem CID 66923402) has the molecular formula C17H32N2O4 and a molecular weight of 328.45 g/mol. Its IUPAC name is 1-N,1-N'-bis[(2R)-1-hydroxy-3-methylbutan-2-yl]cyclopentane-1,1-dicarboxamide.

Molecular Properties

Compound Name1-N,1-N'-bis[(2R)-1-hydroxy-3-methylbutan-2-yl]cyclopentane-1,1-dicarboxamide
PubChem CID66923402
Molecular FormulaC17H32N2O4
Molecular Weight328.45 g/mol
Exact Mass328.24
IUPAC Name1-N,1-N'-bis[(2R)-1-hydroxy-3-methylbutan-2-yl]cyclopentane-1,1-dicarboxamide
SMILESCC(C)[C@H](CO)NC(=O)C1(C(=O)N[C@@H](CO)C(C)C)CCCC1
InChIInChI=1S/C17H32N2O4/c1-11(2)13(9-20)18-15(22)17(7-5-6-8-17)16(23)19-14(10-21)12(3)4/h11-14,20-21H,5-10H2,1-4H3,(H,18,22)(H,19,23)/t13-,14-/m0/s1
InChIKeyGSXPQNJOTLJPCQ-KBPBESRZSA-N
XLogP0.81
TPSA98.66 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.45
LogP ≤ 50.81
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

CID 135047340
CID 135047340
CID 135047381
CID 135047381
N,N'-bis(1-hydroxy-4-methylpentan-2-yl)-2,2-dimethylpropanediamide
CID 23141032
1-N,1-N'-bis(1-hydroxy-4-methylpentan-2-yl)cyclohexane-1,1-dicarboxamide
CID 23141188
3-amino-N-(cyclopentylmethyl)-2-hydroxy-4-methylpentanamide
CID 23297922
3-amino-2-hydroxy-4-methyl-N-[(1-methylcyclopentyl)methyl]pentanamide
CID 23297962
(3S)-3-amino-N-(cyclopentylmethyl)-2-hydroxy-5-methylhexanamide
CID 53695927
3-amino-2-hydroxy-5-methyl-N-[(1-methylcyclopentyl)methyl]hexanamide
CID 54009293
(3S)-3-amino-N-(cyclopentylmethyl)-2-hydroxy-4-methylpentanamide
CID 57212388
N-[(2S)-1-hydroxybutan-2-yl]cyclopentanecarboxamide
CID 59136325
(2R)-2-[[formyl(hydroxy)amino]methyl]-N-[(2S)-1-hydroxy-3,3-dimethylbutan-2-yl]hexanamide
CID 59902233
N-[3-[bis(2-hydroxyethyl)amino]propyl]-2,2-dibutyl-N'-methylpropanediamide
CID 59969263

Frequently Asked Questions

What is the IUPAC name of 1-N,1-N'-bis[(2R)-1-hydroxy-3-methylbutan-2-yl]cyclopentane-1,1-dicarboxamide?
The IUPAC name of 1-N,1-N'-bis[(2R)-1-hydroxy-3-methylbutan-2-yl]cyclopentane-1,1-dicarboxamide (CID 66923402) is 1-N,1-N'-bis[(2R)-1-hydroxy-3-methylbutan-2-yl]cyclopentane-1,1-dicarboxamide.
What is the SMILES notation for 1-N,1-N'-bis[(2R)-1-hydroxy-3-methylbutan-2-yl]cyclopentane-1,1-dicarboxamide?
The canonical SMILES for 1-N,1-N'-bis[(2R)-1-hydroxy-3-methylbutan-2-yl]cyclopentane-1,1-dicarboxamide is CC(C)[C@H](CO)NC(=O)C1(C(=O)N[C@@H](CO)C(C)C)CCCC1.
What is the InChIKey of 1-N,1-N'-bis[(2R)-1-hydroxy-3-methylbutan-2-yl]cyclopentane-1,1-dicarboxamide?
The InChIKey is GSXPQNJOTLJPCQ-KBPBESRZSA-N. The full InChI is InChI=1S/C17H32N2O4/c1-11(2)13(9-20)18-15(22)17(7-5-6-8-17)16(23)19-14(10-21)12(3)4/h11-14,20-21H,5-10H2,1-4H3,(H,18,22)(H,19,23)/t13-,14-/m0/s1.
What are the key properties of 1-N,1-N'-bis[(2R)-1-hydroxy-3-methylbutan-2-yl]cyclopentane-1,1-dicarboxamide?
1-N,1-N'-bis[(2R)-1-hydroxy-3-methylbutan-2-yl]cyclopentane-1,1-dicarboxamide has a molecular weight of 328.45 g/mol, XLogP of 0.81, 8 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[(2R)-1-hydroxy-3-methylbutan-2-yl]cyclopentane-1,1-dicarboxamide is sourced from PubChem (CID 66923402), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).