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

C19H31N3O2 — CID 118742195

IUPAC13-acetyl-9-(cyclopropylmethyl)-3-ethyl-3,9,13-triazadispiro[4.0.56.35]tetradecan-4-one
SMILESCCN1CCC2(CN(C(C)=O)CC23CCN(CC2CC2)CC3)C1=O
InChIInChI=1S/C19H31N3O2/c1-3-21-11-8-19(17(21)24)14-22(15(2)23)13-18(19)6-9-20(10-7-18)12-16-4-5-16/h16H,3-14H2,1-2H3
InChIKeyHWQGVAFPVWCZGL-UHFFFAOYSA-N
MW333.48 g/mol
LogP1.58
Rot. Bonds3

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

13-acetyl-9-(cyclopropylmethyl)-3-ethyl-3,9,13-triazadispiro[4.0.56.35]tetradecan-4-one (PubChem CID 118742195) has the molecular formula C19H31N3O2 and a molecular weight of 333.48 g/mol. Its IUPAC name is 13-acetyl-9-(cyclopropylmethyl)-3-ethyl-3,9,13-triazadispiro[4.0.56.35]tetradecan-4-one.

Molecular Properties

Compound Name13-acetyl-9-(cyclopropylmethyl)-3-ethyl-3,9,13-triazadispiro[4.0.56.35]tetradecan-4-one
PubChem CID118742195
Molecular FormulaC19H31N3O2
Molecular Weight333.48 g/mol
Exact Mass333.24
IUPAC Name13-acetyl-9-(cyclopropylmethyl)-3-ethyl-3,9,13-triazadispiro[4.0.56.35]tetradecan-4-one
SMILESCCN1CCC2(CN(C(C)=O)CC23CCN(CC2CC2)CC3)C1=O
InChIInChI=1S/C19H31N3O2/c1-3-21-11-8-19(17(21)24)14-22(15(2)23)13-18(19)6-9-20(10-7-18)12-16-4-5-16/h16H,3-14H2,1-2H3
InChIKeyHWQGVAFPVWCZGL-UHFFFAOYSA-N
XLogP1.58
TPSA43.86 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.48
LogP ≤ 51.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 13-acetyl-9-(cyclopropylmethyl)-3-ethyl-3,9,13-triazadispiro[4.0.56.35]tetradecan-4-one?
The IUPAC name of 13-acetyl-9-(cyclopropylmethyl)-3-ethyl-3,9,13-triazadispiro[4.0.56.35]tetradecan-4-one (CID 118742195) is 13-acetyl-9-(cyclopropylmethyl)-3-ethyl-3,9,13-triazadispiro[4.0.56.35]tetradecan-4-one.
What is the SMILES notation for 13-acetyl-9-(cyclopropylmethyl)-3-ethyl-3,9,13-triazadispiro[4.0.56.35]tetradecan-4-one?
The canonical SMILES for 13-acetyl-9-(cyclopropylmethyl)-3-ethyl-3,9,13-triazadispiro[4.0.56.35]tetradecan-4-one is CCN1CCC2(CN(C(C)=O)CC23CCN(CC2CC2)CC3)C1=O.
What is the InChIKey of 13-acetyl-9-(cyclopropylmethyl)-3-ethyl-3,9,13-triazadispiro[4.0.56.35]tetradecan-4-one?
The InChIKey is HWQGVAFPVWCZGL-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H31N3O2/c1-3-21-11-8-19(17(21)24)14-22(15(2)23)13-18(19)6-9-20(10-7-18)12-16-4-5-16/h16H,3-14H2,1-2H3.
What are the key properties of 13-acetyl-9-(cyclopropylmethyl)-3-ethyl-3,9,13-triazadispiro[4.0.56.35]tetradecan-4-one?
13-acetyl-9-(cyclopropylmethyl)-3-ethyl-3,9,13-triazadispiro[4.0.56.35]tetradecan-4-one has a molecular weight of 333.48 g/mol, XLogP of 1.58, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 13-acetyl-9-(cyclopropylmethyl)-3-ethyl-3,9,13-triazadispiro[4.0.56.35]tetradecan-4-one is sourced from PubChem (CID 118742195), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).