N'-[2-(aminomethyl)cyclohexyl]-N-(2,3-dihydro-1H-inden-4-ylmethyl)oxamide

C19H27N3O2 — CID 167965216

IUPACN'-[2-(aminomethyl)cyclohexyl]-N-(2,3-dihydro-1H-inden-4-ylmethyl)oxamide
SMILESNCC1CCCCC1NC(=O)C(=O)NCc1cccc2c1CCC2
InChIInChI=1S/C19H27N3O2/c20-11-14-5-1-2-10-17(14)22-19(24)18(23)21-12-15-8-3-6-13-7-4-9-16(13)15/h3,6,8,14,17H,1-2,4-5,7,9-12,20H2,(H,21,23)(H,22,24)
InChIKeyXRDLGUPKDKCTAF-UHFFFAOYSA-N
MW329.44 g/mol
LogP1.43
Rot. Bonds4

About N'-[2-(aminomethyl)cyclohexyl]-N-(2,3-dihydro-1H-inden-4-ylmethyl)oxamide

N'-[2-(aminomethyl)cyclohexyl]-N-(2,3-dihydro-1H-inden-4-ylmethyl)oxamide (PubChem CID 167965216) has the molecular formula C19H27N3O2 and a molecular weight of 329.44 g/mol. Its IUPAC name is N'-[2-(aminomethyl)cyclohexyl]-N-(2,3-dihydro-1H-inden-4-ylmethyl)oxamide.

Molecular Properties

Compound NameN'-[2-(aminomethyl)cyclohexyl]-N-(2,3-dihydro-1H-inden-4-ylmethyl)oxamide
PubChem CID167965216
Molecular FormulaC19H27N3O2
Molecular Weight329.44 g/mol
Exact Mass329.21
IUPAC NameN'-[2-(aminomethyl)cyclohexyl]-N-(2,3-dihydro-1H-inden-4-ylmethyl)oxamide
SMILESNCC1CCCCC1NC(=O)C(=O)NCc1cccc2c1CCC2
InChIInChI=1S/C19H27N3O2/c20-11-14-5-1-2-10-17(14)22-19(24)18(23)21-12-15-8-3-6-13-7-4-9-16(13)15/h3,6,8,14,17H,1-2,4-5,7,9-12,20H2,(H,21,23)(H,22,24)
InChIKeyXRDLGUPKDKCTAF-UHFFFAOYSA-N
XLogP1.43
TPSA84.22 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.44
LogP ≤ 51.43
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'-[2-(aminomethyl)cyclohexyl]-N-(2,3-dihydro-1H-inden-4-ylmethyl)oxamide?
The IUPAC name of N'-[2-(aminomethyl)cyclohexyl]-N-(2,3-dihydro-1H-inden-4-ylmethyl)oxamide (CID 167965216) is N'-[2-(aminomethyl)cyclohexyl]-N-(2,3-dihydro-1H-inden-4-ylmethyl)oxamide.
What is the SMILES notation for N'-[2-(aminomethyl)cyclohexyl]-N-(2,3-dihydro-1H-inden-4-ylmethyl)oxamide?
The canonical SMILES for N'-[2-(aminomethyl)cyclohexyl]-N-(2,3-dihydro-1H-inden-4-ylmethyl)oxamide is NCC1CCCCC1NC(=O)C(=O)NCc1cccc2c1CCC2.
What is the InChIKey of N'-[2-(aminomethyl)cyclohexyl]-N-(2,3-dihydro-1H-inden-4-ylmethyl)oxamide?
The InChIKey is XRDLGUPKDKCTAF-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H27N3O2/c20-11-14-5-1-2-10-17(14)22-19(24)18(23)21-12-15-8-3-6-13-7-4-9-16(13)15/h3,6,8,14,17H,1-2,4-5,7,9-12,20H2,(H,21,23)(H,22,24).
What are the key properties of N'-[2-(aminomethyl)cyclohexyl]-N-(2,3-dihydro-1H-inden-4-ylmethyl)oxamide?
N'-[2-(aminomethyl)cyclohexyl]-N-(2,3-dihydro-1H-inden-4-ylmethyl)oxamide has a molecular weight of 329.44 g/mol, XLogP of 1.43, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[2-(aminomethyl)cyclohexyl]-N-(2,3-dihydro-1H-inden-4-ylmethyl)oxamide is sourced from PubChem (CID 167965216), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).