N,N'-bis[(1R)-1-(1-hydroxycyclopentyl)-2,2-dimethylpropyl]oxamide

C22H40N2O4 — CID 69011772

IUPACN,N'-bis[(1R)-1-(1-hydroxycyclopentyl)-2,2-dimethylpropyl]oxamide
SMILESCC(C)(C)[C@@H](NC(=O)C(=O)N[C@H](C(C)(C)C)C1(O)CCCC1)C1(O)CCCC1
InChIInChI=1S/C22H40N2O4/c1-19(2,3)17(21(27)11-7-8-12-21)23-15(25)16(26)24-18(20(4,5)6)22(28)13-9-10-14-22/h17-18,27-28H,7-14H2,1-6H3,(H,23,25)(H,24,26)/t17-,18-/m1/s1
InChIKeyZBVLLQGHZQBGRK-QZTJIDSGSA-N
MW396.57 g/mol
LogP2.66
Rot. Bonds4

About N,N'-bis[(1R)-1-(1-hydroxycyclopentyl)-2,2-dimethylpropyl]oxamide

N,N'-bis[(1R)-1-(1-hydroxycyclopentyl)-2,2-dimethylpropyl]oxamide (PubChem CID 69011772) has the molecular formula C22H40N2O4 and a molecular weight of 396.57 g/mol. Its IUPAC name is N,N'-bis[(1R)-1-(1-hydroxycyclopentyl)-2,2-dimethylpropyl]oxamide.

Molecular Properties

Compound NameN,N'-bis[(1R)-1-(1-hydroxycyclopentyl)-2,2-dimethylpropyl]oxamide
PubChem CID69011772
Molecular FormulaC22H40N2O4
Molecular Weight396.57 g/mol
Exact Mass396.30
IUPAC NameN,N'-bis[(1R)-1-(1-hydroxycyclopentyl)-2,2-dimethylpropyl]oxamide
SMILESCC(C)(C)[C@@H](NC(=O)C(=O)N[C@H](C(C)(C)C)C1(O)CCCC1)C1(O)CCCC1
InChIInChI=1S/C22H40N2O4/c1-19(2,3)17(21(27)11-7-8-12-21)23-15(25)16(26)24-18(20(4,5)6)22(28)13-9-10-14-22/h17-18,27-28H,7-14H2,1-6H3,(H,23,25)(H,24,26)/t17-,18-/m1/s1
InChIKeyZBVLLQGHZQBGRK-QZTJIDSGSA-N
XLogP2.66
TPSA98.66 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.57
LogP ≤ 52.66
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'diketo_group', 'substructure': 'N/A'}

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Related Compounds

N,N'-bis[(1R)-1-(1-hydroxycyclobutyl)-2,2-dimethylpropyl]propanediamide
CID 69007042
N,N'-bis[(1R)-1-(1-hydroxycyclohexyl)-2-methylpropyl]propanediamide
CID 69010101
N-(2,2-dimethyl-4-oxopentan-3-yl)-1-hydroxycyclopentane-1-carboxamide
CID 58331654
1-[(2R)-3,3-dimethylbutan-2-yl]cyclobutan-1-ol
CID 171752965
tert-butyl N-[(1R)-2-ethoxy-1-(1-hydroxycyclopentyl)ethyl]carbamate
CID 156777891
1-(1-hydroxycyclohexyl)-2,2,4-trimethylpentane-1,3-diol
CID 23168890
methyl (Z)-2-(1-hydroxycyclohexyl)-4-methoxybut-3-enoate
CID 11020640
N'-[(1R)-1-(1-hydroxycyclobutyl)propyl]oxamide
CID 141117177
2-methylpropanoic acid;1-propan-2-ylcyclohexan-1-ol
CID 174748653
N,N'-bis[(1R)-1-(1-hydroxycyclohexyl)-2-phenylethyl]-2,2-dimethylpropanediamide
CID 69006898
1-(1-amino-2-methylpropyl)cyclopentan-1-ol
CID 18373867
tert-butyl 2-(1-hydroxycyclobutyl)oxyacetate
CID 137480139

Frequently Asked Questions

What is the IUPAC name of N,N'-bis[(1R)-1-(1-hydroxycyclopentyl)-2,2-dimethylpropyl]oxamide?
The IUPAC name of N,N'-bis[(1R)-1-(1-hydroxycyclopentyl)-2,2-dimethylpropyl]oxamide (CID 69011772) is N,N'-bis[(1R)-1-(1-hydroxycyclopentyl)-2,2-dimethylpropyl]oxamide.
What is the SMILES notation for N,N'-bis[(1R)-1-(1-hydroxycyclopentyl)-2,2-dimethylpropyl]oxamide?
The canonical SMILES for N,N'-bis[(1R)-1-(1-hydroxycyclopentyl)-2,2-dimethylpropyl]oxamide is CC(C)(C)[C@@H](NC(=O)C(=O)N[C@H](C(C)(C)C)C1(O)CCCC1)C1(O)CCCC1.
What is the InChIKey of N,N'-bis[(1R)-1-(1-hydroxycyclopentyl)-2,2-dimethylpropyl]oxamide?
The InChIKey is ZBVLLQGHZQBGRK-QZTJIDSGSA-N. The full InChI is InChI=1S/C22H40N2O4/c1-19(2,3)17(21(27)11-7-8-12-21)23-15(25)16(26)24-18(20(4,5)6)22(28)13-9-10-14-22/h17-18,27-28H,7-14H2,1-6H3,(H,23,25)(H,24,26)/t17-,18-/m1/s1.
What are the key properties of N,N'-bis[(1R)-1-(1-hydroxycyclopentyl)-2,2-dimethylpropyl]oxamide?
N,N'-bis[(1R)-1-(1-hydroxycyclopentyl)-2,2-dimethylpropyl]oxamide has a molecular weight of 396.57 g/mol, XLogP of 2.66, 4 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N,N'-bis[(1R)-1-(1-hydroxycyclopentyl)-2,2-dimethylpropyl]oxamide is sourced from PubChem (CID 69011772), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).