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

C18H30N4O3 — CID 118738723

IUPAC13-acetyl-3-ethyl-N,N-dimethyl-4-oxo-3,9,13-triazadispiro[4.0.56.35]tetradecane-9-carboxamide
SMILESCCN1CCC2(CN(C(C)=O)CC23CCN(C(=O)N(C)C)CC3)C1=O
InChIInChI=1S/C18H30N4O3/c1-5-20-11-8-18(15(20)24)13-22(14(2)23)12-17(18)6-9-21(10-7-17)16(25)19(3)4/h5-13H2,1-4H3
InChIKeyZOTBDYHWQJZDSP-UHFFFAOYSA-N
MW350.46 g/mol
LogP0.85
Rot. Bonds1

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

13-acetyl-3-ethyl-N,N-dimethyl-4-oxo-3,9,13-triazadispiro[4.0.56.35]tetradecane-9-carboxamide (PubChem CID 118738723) has the molecular formula C18H30N4O3 and a molecular weight of 350.46 g/mol. Its IUPAC name is 13-acetyl-3-ethyl-N,N-dimethyl-4-oxo-3,9,13-triazadispiro[4.0.56.35]tetradecane-9-carboxamide.

Molecular Properties

Compound Name13-acetyl-3-ethyl-N,N-dimethyl-4-oxo-3,9,13-triazadispiro[4.0.56.35]tetradecane-9-carboxamide
PubChem CID118738723
Molecular FormulaC18H30N4O3
Molecular Weight350.46 g/mol
Exact Mass350.23
IUPAC Name13-acetyl-3-ethyl-N,N-dimethyl-4-oxo-3,9,13-triazadispiro[4.0.56.35]tetradecane-9-carboxamide
SMILESCCN1CCC2(CN(C(C)=O)CC23CCN(C(=O)N(C)C)CC3)C1=O
InChIInChI=1S/C18H30N4O3/c1-5-20-11-8-18(15(20)24)13-22(14(2)23)12-17(18)6-9-21(10-7-17)16(25)19(3)4/h5-13H2,1-4H3
InChIKeyZOTBDYHWQJZDSP-UHFFFAOYSA-N
XLogP0.85
TPSA64.17 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.46
LogP ≤ 50.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

(3aS,6aR)-N,N,2-trimethyl-1'-(2-methylpropanoyl)-1-oxospiro[3a,4,6,6a-tetrahydropyrrolo[3,4-c]pyrrole-3,4'-piperidine]-5-carboxamide
CID 97439163
(3aS,6aR)-1'-acetyl-N,N,2-trimethyl-1-oxospiro[3a,4,6,6a-tetrahydropyrrolo[3,4-c]pyrrole-3,4'-piperidine]-5-carboxamide
CID 97522257
9-(cyclopropylmethyl)-3-ethyl-N,N-dimethyl-4-oxo-3,9,13-triazadispiro[4.0.56.35]tetradecane-13-carboxamide
CID 118742190
13-Acetyl-9-(cyclopropylmethyl)-3-ethyl-3,9,13-triazadispiro[4.0.56.35]tetradecan-4-one
CID 118742195
3-ethyl-N,N-dimethyl-4-oxo-3,9,13-triazadispiro[4.0.5^{6}.3^{5}]tetradecane-13-carboxamide
CID 118742205
13-(cyclopropylmethyl)-N,N-dimethyl-4-oxo-3,9,13-triazadispiro[4.0.56.35]tetradecane-9-carboxamide
CID 118742280
1-Methyl-3-[2-(7-methyl-6-oxo-2,7-diazaspiro[4.5]dec-2-yl)-2-oxoethyl]-2,4-imidazolidinedione
CID 72895130
5,5-Diethyl-1,3-bis[(2-oxopyrrolidin-1-yl)methyl]-1,3-diazinane-2,4,6-trione
CID 56690289
7-Methyl-2-(1-pyrrolidinylcarbonyl)-2,7-diazaspiro[4.5]decan-6-one
CID 72891357
13-Acetyl-3-ethyl-9-(1-fluorocyclopropanecarbonyl)-3,9,13-triazadispiro[4.0.56.35]tetradecan-4-one
CID 131688492
9-(dimethylsulfamoyl)-N,N,3-trimethyl-4-oxo-3,9,13-triazadispiro[4.0.56.35]tetradecane-13-carboxamide
CID 134074518
13-Acetyl-3-methyl-9-(2-methylpropanoyl)-3,9,13-triazadispiro[4.0.56.35]tetradecan-4-one
CID 134077067

Frequently Asked Questions

What is the IUPAC name of 13-acetyl-3-ethyl-N,N-dimethyl-4-oxo-3,9,13-triazadispiro[4.0.56.35]tetradecane-9-carboxamide?
The IUPAC name of 13-acetyl-3-ethyl-N,N-dimethyl-4-oxo-3,9,13-triazadispiro[4.0.56.35]tetradecane-9-carboxamide (CID 118738723) is 13-acetyl-3-ethyl-N,N-dimethyl-4-oxo-3,9,13-triazadispiro[4.0.56.35]tetradecane-9-carboxamide.
What is the SMILES notation for 13-acetyl-3-ethyl-N,N-dimethyl-4-oxo-3,9,13-triazadispiro[4.0.56.35]tetradecane-9-carboxamide?
The canonical SMILES for 13-acetyl-3-ethyl-N,N-dimethyl-4-oxo-3,9,13-triazadispiro[4.0.56.35]tetradecane-9-carboxamide is CCN1CCC2(CN(C(C)=O)CC23CCN(C(=O)N(C)C)CC3)C1=O.
What is the InChIKey of 13-acetyl-3-ethyl-N,N-dimethyl-4-oxo-3,9,13-triazadispiro[4.0.56.35]tetradecane-9-carboxamide?
The InChIKey is ZOTBDYHWQJZDSP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H30N4O3/c1-5-20-11-8-18(15(20)24)13-22(14(2)23)12-17(18)6-9-21(10-7-17)16(25)19(3)4/h5-13H2,1-4H3.
What are the key properties of 13-acetyl-3-ethyl-N,N-dimethyl-4-oxo-3,9,13-triazadispiro[4.0.56.35]tetradecane-9-carboxamide?
13-acetyl-3-ethyl-N,N-dimethyl-4-oxo-3,9,13-triazadispiro[4.0.56.35]tetradecane-9-carboxamide has a molecular weight of 350.46 g/mol, XLogP of 0.85, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 13-acetyl-3-ethyl-N,N-dimethyl-4-oxo-3,9,13-triazadispiro[4.0.56.35]tetradecane-9-carboxamide is sourced from PubChem (CID 118738723), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).