3-ethyl-N,N-dimethyl-4-oxo-3,9,13-triazadispiro[4.0.56.35]tetradecane-13-carboxamide

C16H28N4O2 — CID 118742205

IUPAC3-ethyl-N,N-dimethyl-4-oxo-3,9,13-triazadispiro[4.0.56.35]tetradecane-13-carboxamide
SMILESCCN1CCC2(CN(C(=O)N(C)C)CC23CCNCC3)C1=O
InChIInChI=1S/C16H28N4O2/c1-4-19-10-7-16(13(19)21)12-20(14(22)18(2)3)11-15(16)5-8-17-9-6-15/h17H,4-12H2,1-3H3
InChIKeyAKRCDNAKWBHOEV-UHFFFAOYSA-N
MW308.43 g/mol
LogP0.59
Rot. Bonds1

About 3-ethyl-N,N-dimethyl-4-oxo-3,9,13-triazadispiro[4.0.56.35]tetradecane-13-carboxamide

3-ethyl-N,N-dimethyl-4-oxo-3,9,13-triazadispiro[4.0.56.35]tetradecane-13-carboxamide (PubChem CID 118742205) has the molecular formula C16H28N4O2 and a molecular weight of 308.43 g/mol. Its IUPAC name is 3-ethyl-N,N-dimethyl-4-oxo-3,9,13-triazadispiro[4.0.56.35]tetradecane-13-carboxamide.

Molecular Properties

Compound Name3-ethyl-N,N-dimethyl-4-oxo-3,9,13-triazadispiro[4.0.56.35]tetradecane-13-carboxamide
PubChem CID118742205
Molecular FormulaC16H28N4O2
Molecular Weight308.43 g/mol
Exact Mass308.22
IUPAC Name3-ethyl-N,N-dimethyl-4-oxo-3,9,13-triazadispiro[4.0.56.35]tetradecane-13-carboxamide
SMILESCCN1CCC2(CN(C(=O)N(C)C)CC23CCNCC3)C1=O
InChIInChI=1S/C16H28N4O2/c1-4-19-10-7-16(13(19)21)12-20(14(22)18(2)3)11-15(16)5-8-17-9-6-15/h17H,4-12H2,1-3H3
InChIKeyAKRCDNAKWBHOEV-UHFFFAOYSA-N
XLogP0.59
TPSA55.89 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.43
LogP ≤ 50.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-Isobutyl-8-[(2-oxoimidazolidin-4-yl)carbonyl]-2,8-diazaspiro[4.5]decan-3-one
CID 72917943
(3aS,6aR)-N,N-dimethyl-1'-(3-methylbutanoyl)-1-oxospiro[3a,4,6,6a-tetrahydro-2H-pyrrolo[3,4-c]pyrrole-3,4'-piperidine]-5-carboxamide
CID 97439099
(3aS,6aR)-N,N-dimethyl-1'-(2-methylpropanoyl)-1-oxospiro[3a,4,6,6a-tetrahydro-2H-pyrrolo[3,4-c]pyrrole-3,4'-piperidine]-5-carboxamide
CID 97522186
(3aS,6aR)-5-N,5-N-dimethyl-1-oxo-1-N'-propan-2-ylspiro[3a,4,6,6a-tetrahydro-2H-pyrrolo[3,4-c]pyrrole-3,4'-piperidine]-1',5-dicarboxamide
CID 97522188
(3aS,6aR)-5-N,5-N,2-trimethyl-1-oxo-1-N'-propan-2-ylspiro[3a,4,6,6a-tetrahydropyrrolo[3,4-c]pyrrole-3,4'-piperidine]-1',5-dicarboxamide
CID 97522263
13-acetyl-N,N-dimethyl-4-oxo-3,9,13-triazadispiro[4.0.56.35]tetradecane-9-sulfonamide
CID 118738720
9,13-Diacetyl-3,9,13-triazadispiro[4.0.56.35]tetradecan-4-one
CID 118738721
13-acetyl-3-ethyl-N,N-dimethyl-4-oxo-3,9,13-triazadispiro[4.0.56.35]tetradecane-9-carboxamide
CID 118738723
N-cyclopropyl-1-oxo-2,9-diazaspiro[4.5]decane-9-carboxamide
CID 118738734
9-(cyclopropylmethyl)-3-ethyl-N,N-dimethyl-4-oxo-3,9,13-triazadispiro[4.0.56.35]tetradecane-13-carboxamide
CID 118742190
9-Acetyl-13-(2-methylpropyl)-3,9,13-triazadispiro[4.0.56.35]tetradecan-4-one
CID 118742203
13-(cyclopropylmethyl)-N,N-dimethyl-4-oxo-3,9,13-triazadispiro[4.0.56.35]tetradecane-9-carboxamide
CID 118742280

Frequently Asked Questions

What is the IUPAC name of 3-ethyl-N,N-dimethyl-4-oxo-3,9,13-triazadispiro[4.0.56.35]tetradecane-13-carboxamide?
The IUPAC name of 3-ethyl-N,N-dimethyl-4-oxo-3,9,13-triazadispiro[4.0.56.35]tetradecane-13-carboxamide (CID 118742205) is 3-ethyl-N,N-dimethyl-4-oxo-3,9,13-triazadispiro[4.0.56.35]tetradecane-13-carboxamide.
What is the SMILES notation for 3-ethyl-N,N-dimethyl-4-oxo-3,9,13-triazadispiro[4.0.56.35]tetradecane-13-carboxamide?
The canonical SMILES for 3-ethyl-N,N-dimethyl-4-oxo-3,9,13-triazadispiro[4.0.56.35]tetradecane-13-carboxamide is CCN1CCC2(CN(C(=O)N(C)C)CC23CCNCC3)C1=O.
What is the InChIKey of 3-ethyl-N,N-dimethyl-4-oxo-3,9,13-triazadispiro[4.0.56.35]tetradecane-13-carboxamide?
The InChIKey is AKRCDNAKWBHOEV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H28N4O2/c1-4-19-10-7-16(13(19)21)12-20(14(22)18(2)3)11-15(16)5-8-17-9-6-15/h17H,4-12H2,1-3H3.
What are the key properties of 3-ethyl-N,N-dimethyl-4-oxo-3,9,13-triazadispiro[4.0.56.35]tetradecane-13-carboxamide?
3-ethyl-N,N-dimethyl-4-oxo-3,9,13-triazadispiro[4.0.56.35]tetradecane-13-carboxamide has a molecular weight of 308.43 g/mol, XLogP of 0.59, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyl-N,N-dimethyl-4-oxo-3,9,13-triazadispiro[4.0.56.35]tetradecane-13-carboxamide is sourced from PubChem (CID 118742205), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).