1-(2,3-dihydro-1H-inden-4-ylmethyl)-N-ethylazetidine-3-carboxamide

C16H22N2O — CID 154763053

IUPAC1-(2,3-dihydro-1H-inden-4-ylmethyl)-N-ethylazetidine-3-carboxamide
SMILESCCNC(=O)C1CN(Cc2cccc3c2CCC3)C1
InChIInChI=1S/C16H22N2O/c1-2-17-16(19)14-10-18(11-14)9-13-7-3-5-12-6-4-8-15(12)13/h3,5,7,14H,2,4,6,8-11H2,1H3,(H,17,19)
InChIKeyHTINFOQKSUSSSW-UHFFFAOYSA-N
MW258.36 g/mol
LogP1.74
Rot. Bonds4

About 1-(2,3-dihydro-1H-inden-4-ylmethyl)-N-ethylazetidine-3-carboxamide

1-(2,3-dihydro-1H-inden-4-ylmethyl)-N-ethylazetidine-3-carboxamide (PubChem CID 154763053) has the molecular formula C16H22N2O and a molecular weight of 258.36 g/mol. Its IUPAC name is 1-(2,3-dihydro-1H-inden-4-ylmethyl)-N-ethylazetidine-3-carboxamide.

Molecular Properties

Compound Name1-(2,3-dihydro-1H-inden-4-ylmethyl)-N-ethylazetidine-3-carboxamide
PubChem CID154763053
Molecular FormulaC16H22N2O
Molecular Weight258.36 g/mol
Exact Mass258.17
IUPAC Name1-(2,3-dihydro-1H-inden-4-ylmethyl)-N-ethylazetidine-3-carboxamide
SMILESCCNC(=O)C1CN(Cc2cccc3c2CCC3)C1
InChIInChI=1S/C16H22N2O/c1-2-17-16(19)14-10-18(11-14)9-13-7-3-5-12-6-4-8-15(12)13/h3,5,7,14H,2,4,6,8-11H2,1H3,(H,17,19)
InChIKeyHTINFOQKSUSSSW-UHFFFAOYSA-N
XLogP1.74
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.36
LogP ≤ 51.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-(2,3-dihydro-1H-inden-4-ylmethyl)-N-ethylazetidine-3-carboxamide?
The IUPAC name of 1-(2,3-dihydro-1H-inden-4-ylmethyl)-N-ethylazetidine-3-carboxamide (CID 154763053) is 1-(2,3-dihydro-1H-inden-4-ylmethyl)-N-ethylazetidine-3-carboxamide.
What is the SMILES notation for 1-(2,3-dihydro-1H-inden-4-ylmethyl)-N-ethylazetidine-3-carboxamide?
The canonical SMILES for 1-(2,3-dihydro-1H-inden-4-ylmethyl)-N-ethylazetidine-3-carboxamide is CCNC(=O)C1CN(Cc2cccc3c2CCC3)C1.
What is the InChIKey of 1-(2,3-dihydro-1H-inden-4-ylmethyl)-N-ethylazetidine-3-carboxamide?
The InChIKey is HTINFOQKSUSSSW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N2O/c1-2-17-16(19)14-10-18(11-14)9-13-7-3-5-12-6-4-8-15(12)13/h3,5,7,14H,2,4,6,8-11H2,1H3,(H,17,19).
What are the key properties of 1-(2,3-dihydro-1H-inden-4-ylmethyl)-N-ethylazetidine-3-carboxamide?
1-(2,3-dihydro-1H-inden-4-ylmethyl)-N-ethylazetidine-3-carboxamide has a molecular weight of 258.36 g/mol, XLogP of 1.74, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,3-dihydro-1H-inden-4-ylmethyl)-N-ethylazetidine-3-carboxamide is sourced from PubChem (CID 154763053), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).