N'-(1-cyclopropyl-3-hydroxypropyl)-N-(2,3-dihydro-1H-inden-5-yl)oxamide

C17H22N2O3 — CID 111798808

IUPACN'-(1-cyclopropyl-3-hydroxypropyl)-N-(2,3-dihydro-1H-inden-5-yl)oxamide
SMILESO=C(Nc1ccc2c(c1)CCC2)C(=O)NC(CCO)C1CC1
InChIInChI=1S/C17H22N2O3/c20-9-8-15(12-4-5-12)19-17(22)16(21)18-14-7-6-11-2-1-3-13(11)10-14/h6-7,10,12,15,20H,1-5,8-9H2,(H,18,21)(H,19,22)
InChIKeyHVMBNUDNFOCCCG-UHFFFAOYSA-N
MW302.37 g/mol
LogP1.39
Rot. Bonds5

About N'-(1-cyclopropyl-3-hydroxypropyl)-N-(2,3-dihydro-1H-inden-5-yl)oxamide

N'-(1-cyclopropyl-3-hydroxypropyl)-N-(2,3-dihydro-1H-inden-5-yl)oxamide (PubChem CID 111798808) has the molecular formula C17H22N2O3 and a molecular weight of 302.37 g/mol. Its IUPAC name is N'-(1-cyclopropyl-3-hydroxypropyl)-N-(2,3-dihydro-1H-inden-5-yl)oxamide.

Molecular Properties

Compound NameN'-(1-cyclopropyl-3-hydroxypropyl)-N-(2,3-dihydro-1H-inden-5-yl)oxamide
PubChem CID111798808
Molecular FormulaC17H22N2O3
Molecular Weight302.37 g/mol
Exact Mass302.16
IUPAC NameN'-(1-cyclopropyl-3-hydroxypropyl)-N-(2,3-dihydro-1H-inden-5-yl)oxamide
SMILESO=C(Nc1ccc2c(c1)CCC2)C(=O)NC(CCO)C1CC1
InChIInChI=1S/C17H22N2O3/c20-9-8-15(12-4-5-12)19-17(22)16(21)18-14-7-6-11-2-1-3-13(11)10-14/h6-7,10,12,15,20H,1-5,8-9H2,(H,18,21)(H,19,22)
InChIKeyHVMBNUDNFOCCCG-UHFFFAOYSA-N
XLogP1.39
TPSA78.43 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.37
LogP ≤ 51.39
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N'-(1-cyclopropyl-3-hydroxypropyl)-N-(2,3-dihydro-1H-inden-5-yl)oxamide?
The IUPAC name of N'-(1-cyclopropyl-3-hydroxypropyl)-N-(2,3-dihydro-1H-inden-5-yl)oxamide (CID 111798808) is N'-(1-cyclopropyl-3-hydroxypropyl)-N-(2,3-dihydro-1H-inden-5-yl)oxamide.
What is the SMILES notation for N'-(1-cyclopropyl-3-hydroxypropyl)-N-(2,3-dihydro-1H-inden-5-yl)oxamide?
The canonical SMILES for N'-(1-cyclopropyl-3-hydroxypropyl)-N-(2,3-dihydro-1H-inden-5-yl)oxamide is O=C(Nc1ccc2c(c1)CCC2)C(=O)NC(CCO)C1CC1.
What is the InChIKey of N'-(1-cyclopropyl-3-hydroxypropyl)-N-(2,3-dihydro-1H-inden-5-yl)oxamide?
The InChIKey is HVMBNUDNFOCCCG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N2O3/c20-9-8-15(12-4-5-12)19-17(22)16(21)18-14-7-6-11-2-1-3-13(11)10-14/h6-7,10,12,15,20H,1-5,8-9H2,(H,18,21)(H,19,22).
What are the key properties of N'-(1-cyclopropyl-3-hydroxypropyl)-N-(2,3-dihydro-1H-inden-5-yl)oxamide?
N'-(1-cyclopropyl-3-hydroxypropyl)-N-(2,3-dihydro-1H-inden-5-yl)oxamide has a molecular weight of 302.37 g/mol, XLogP of 1.39, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(1-cyclopropyl-3-hydroxypropyl)-N-(2,3-dihydro-1H-inden-5-yl)oxamide is sourced from PubChem (CID 111798808), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).