9-(cyclopropylmethyl)-3-ethyl-13-(2-methoxyethyl)-3,9,13-triazadispiro[4.0.56.35]tetradecan-4-one

C20H35N3O2 — CID 131641826

IUPAC9-(cyclopropylmethyl)-3-ethyl-13-(2-methoxyethyl)-3,9,13-triazadispiro[4.0.56.35]tetradecan-4-one
SMILESCCN1CCC2(CN(CCOC)CC23CCN(CC2CC2)CC3)C1=O
InChIInChI=1S/C20H35N3O2/c1-3-23-11-8-20(18(23)24)16-22(12-13-25-2)15-19(20)6-9-21(10-7-19)14-17-4-5-17/h17H,3-16H2,1-2H3
InChIKeyNEHGYHNFIYDBSL-UHFFFAOYSA-N
MW349.52 g/mol
LogP1.68
Rot. Bonds6

About 9-(cyclopropylmethyl)-3-ethyl-13-(2-methoxyethyl)-3,9,13-triazadispiro[4.0.56.35]tetradecan-4-one

9-(cyclopropylmethyl)-3-ethyl-13-(2-methoxyethyl)-3,9,13-triazadispiro[4.0.56.35]tetradecan-4-one (PubChem CID 131641826) has the molecular formula C20H35N3O2 and a molecular weight of 349.52 g/mol. Its IUPAC name is 9-(cyclopropylmethyl)-3-ethyl-13-(2-methoxyethyl)-3,9,13-triazadispiro[4.0.56.35]tetradecan-4-one.

Molecular Properties

Compound Name9-(cyclopropylmethyl)-3-ethyl-13-(2-methoxyethyl)-3,9,13-triazadispiro[4.0.56.35]tetradecan-4-one
PubChem CID131641826
Molecular FormulaC20H35N3O2
Molecular Weight349.52 g/mol
Exact Mass349.27
IUPAC Name9-(cyclopropylmethyl)-3-ethyl-13-(2-methoxyethyl)-3,9,13-triazadispiro[4.0.56.35]tetradecan-4-one
SMILESCCN1CCC2(CN(CCOC)CC23CCN(CC2CC2)CC3)C1=O
InChIInChI=1S/C20H35N3O2/c1-3-23-11-8-20(18(23)24)16-22(12-13-25-2)15-19(20)6-9-21(10-7-19)14-17-4-5-17/h17H,3-16H2,1-2H3
InChIKeyNEHGYHNFIYDBSL-UHFFFAOYSA-N
XLogP1.68
TPSA36.02 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.52
LogP ≤ 51.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 9-(cyclopropylmethyl)-3-ethyl-13-(2-methoxyethyl)-3,9,13-triazadispiro[4.0.56.35]tetradecan-4-one?
The IUPAC name of 9-(cyclopropylmethyl)-3-ethyl-13-(2-methoxyethyl)-3,9,13-triazadispiro[4.0.56.35]tetradecan-4-one (CID 131641826) is 9-(cyclopropylmethyl)-3-ethyl-13-(2-methoxyethyl)-3,9,13-triazadispiro[4.0.56.35]tetradecan-4-one.
What is the SMILES notation for 9-(cyclopropylmethyl)-3-ethyl-13-(2-methoxyethyl)-3,9,13-triazadispiro[4.0.56.35]tetradecan-4-one?
The canonical SMILES for 9-(cyclopropylmethyl)-3-ethyl-13-(2-methoxyethyl)-3,9,13-triazadispiro[4.0.56.35]tetradecan-4-one is CCN1CCC2(CN(CCOC)CC23CCN(CC2CC2)CC3)C1=O.
What is the InChIKey of 9-(cyclopropylmethyl)-3-ethyl-13-(2-methoxyethyl)-3,9,13-triazadispiro[4.0.56.35]tetradecan-4-one?
The InChIKey is NEHGYHNFIYDBSL-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H35N3O2/c1-3-23-11-8-20(18(23)24)16-22(12-13-25-2)15-19(20)6-9-21(10-7-19)14-17-4-5-17/h17H,3-16H2,1-2H3.
What are the key properties of 9-(cyclopropylmethyl)-3-ethyl-13-(2-methoxyethyl)-3,9,13-triazadispiro[4.0.56.35]tetradecan-4-one?
9-(cyclopropylmethyl)-3-ethyl-13-(2-methoxyethyl)-3,9,13-triazadispiro[4.0.56.35]tetradecan-4-one has a molecular weight of 349.52 g/mol, XLogP of 1.68, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 9-(cyclopropylmethyl)-3-ethyl-13-(2-methoxyethyl)-3,9,13-triazadispiro[4.0.56.35]tetradecan-4-one is sourced from PubChem (CID 131641826), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).