N'-(2,3-dihydro-1H-inden-5-yl)-N-[(1-hydroxycyclohexyl)methyl]oxamide

C18H24N2O3 — CID 111435652

IUPACN'-(2,3-dihydro-1H-inden-5-yl)-N-[(1-hydroxycyclohexyl)methyl]oxamide
SMILESO=C(NCC1(O)CCCCC1)C(=O)Nc1ccc2c(c1)CCC2
InChIInChI=1S/C18H24N2O3/c21-16(19-12-18(23)9-2-1-3-10-18)17(22)20-15-8-7-13-5-4-6-14(13)11-15/h7-8,11,23H,1-6,9-10,12H2,(H,19,21)(H,20,22)
InChIKeyZABPNHXOBLGANX-UHFFFAOYSA-N
MW316.40 g/mol
LogP1.93
Rot. Bonds3

About N'-(2,3-dihydro-1H-inden-5-yl)-N-[(1-hydroxycyclohexyl)methyl]oxamide

N'-(2,3-dihydro-1H-inden-5-yl)-N-[(1-hydroxycyclohexyl)methyl]oxamide (PubChem CID 111435652) has the molecular formula C18H24N2O3 and a molecular weight of 316.40 g/mol. Its IUPAC name is N'-(2,3-dihydro-1H-inden-5-yl)-N-[(1-hydroxycyclohexyl)methyl]oxamide.

Molecular Properties

Compound NameN'-(2,3-dihydro-1H-inden-5-yl)-N-[(1-hydroxycyclohexyl)methyl]oxamide
PubChem CID111435652
Molecular FormulaC18H24N2O3
Molecular Weight316.40 g/mol
Exact Mass316.18
IUPAC NameN'-(2,3-dihydro-1H-inden-5-yl)-N-[(1-hydroxycyclohexyl)methyl]oxamide
SMILESO=C(NCC1(O)CCCCC1)C(=O)Nc1ccc2c(c1)CCC2
InChIInChI=1S/C18H24N2O3/c21-16(19-12-18(23)9-2-1-3-10-18)17(22)20-15-8-7-13-5-4-6-14(13)11-15/h7-8,11,23H,1-6,9-10,12H2,(H,19,21)(H,20,22)
InChIKeyZABPNHXOBLGANX-UHFFFAOYSA-N
XLogP1.93
TPSA78.43 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.40
LogP ≤ 51.93
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

1-(2,3-dihydro-1H-inden-5-yl)-3-[(4-hydroxyoxan-4-yl)methyl]urea
CID 110936269
N-(2,3-dihydro-1H-inden-5-yl)-2-hydrazinyl-2-oxoacetamide
CID 43163947
1-(2,3-dihydro-1H-inden-5-yl)-2-[(1-hydroxycyclohexyl)methyl]guanidine
CID 111078471
N'-(4-chlorophenyl)-N-[(2-hydroxy-3,4-dihydro-1H-naphthalen-2-yl)methyl]oxamide
CID 90581292
N-[(1-hydroxycyclopentyl)methyl]-N'-(1-propylindol-5-yl)oxamide
CID 111435497
N'-(2,3-dihydro-1H-inden-5-yl)-N-(2-phenylsulfanylethyl)oxamide
CID 86996263
N'-(2-chlorophenyl)-N-[(1-hydroxycycloheptyl)methyl]oxamide
CID 111435658
N'-(2,3-dihydro-1H-inden-5-yl)-N-(3-hydroxy-2,2,4-trimethylpentyl)oxamide
CID 109389453
N'-(5-chloro-2-fluorophenyl)-N-[(1-hydroxycyclopentyl)methyl]oxamide
CID 111435524
N-(2,3-dihydro-1H-inden-5-yl)-2-sulfanylacetamide
CID 60650065
1-(2,3-dihydro-1H-inden-5-ylcarbamoyl)cyclobutane-1-carboxylic acid
CID 62095213
1-[(1-hydroxycycloheptyl)methyl]-3-pyridin-4-ylurea
CID 111425504

Frequently Asked Questions

What is the IUPAC name of N'-(2,3-dihydro-1H-inden-5-yl)-N-[(1-hydroxycyclohexyl)methyl]oxamide?
The IUPAC name of N'-(2,3-dihydro-1H-inden-5-yl)-N-[(1-hydroxycyclohexyl)methyl]oxamide (CID 111435652) is N'-(2,3-dihydro-1H-inden-5-yl)-N-[(1-hydroxycyclohexyl)methyl]oxamide.
What is the SMILES notation for N'-(2,3-dihydro-1H-inden-5-yl)-N-[(1-hydroxycyclohexyl)methyl]oxamide?
The canonical SMILES for N'-(2,3-dihydro-1H-inden-5-yl)-N-[(1-hydroxycyclohexyl)methyl]oxamide is O=C(NCC1(O)CCCCC1)C(=O)Nc1ccc2c(c1)CCC2.
What is the InChIKey of N'-(2,3-dihydro-1H-inden-5-yl)-N-[(1-hydroxycyclohexyl)methyl]oxamide?
The InChIKey is ZABPNHXOBLGANX-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N2O3/c21-16(19-12-18(23)9-2-1-3-10-18)17(22)20-15-8-7-13-5-4-6-14(13)11-15/h7-8,11,23H,1-6,9-10,12H2,(H,19,21)(H,20,22).
What are the key properties of N'-(2,3-dihydro-1H-inden-5-yl)-N-[(1-hydroxycyclohexyl)methyl]oxamide?
N'-(2,3-dihydro-1H-inden-5-yl)-N-[(1-hydroxycyclohexyl)methyl]oxamide has a molecular weight of 316.40 g/mol, XLogP of 1.93, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(2,3-dihydro-1H-inden-5-yl)-N-[(1-hydroxycyclohexyl)methyl]oxamide is sourced from PubChem (CID 111435652), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).