N,N,3-trimethyl-4-oxo-9-(4-propylbenzoyl)-3,9,13-triazadispiro[4.0.56.35]tetradecane-13-carboxamide

C25H36N4O3 — CID 134079159

IUPACN,N,3-trimethyl-4-oxo-9-(4-propylbenzoyl)-3,9,13-triazadispiro[4.0.56.35]tetradecane-13-carboxamide
SMILESCCCc1ccc(C(=O)N2CCC3(CC2)CN(C(=O)N(C)C)CC32CCN(C)C2=O)cc1
InChIInChI=1S/C25H36N4O3/c1-5-6-19-7-9-20(10-8-19)21(30)28-15-11-24(12-16-28)17-29(23(32)26(2)3)18-25(24)13-14-27(4)22(25)31/h7-10H,5-6,11-18H2,1-4H3
InChIKeyWMMJQUOAPKLSFA-UHFFFAOYSA-N
MW440.59 g/mol
LogP2.71
Rot. Bonds3

About N,N,3-trimethyl-4-oxo-9-(4-propylbenzoyl)-3,9,13-triazadispiro[4.0.56.35]tetradecane-13-carboxamide

N,N,3-trimethyl-4-oxo-9-(4-propylbenzoyl)-3,9,13-triazadispiro[4.0.56.35]tetradecane-13-carboxamide (PubChem CID 134079159) has the molecular formula C25H36N4O3 and a molecular weight of 440.59 g/mol. Its IUPAC name is N,N,3-trimethyl-4-oxo-9-(4-propylbenzoyl)-3,9,13-triazadispiro[4.0.56.35]tetradecane-13-carboxamide.

Molecular Properties

Compound NameN,N,3-trimethyl-4-oxo-9-(4-propylbenzoyl)-3,9,13-triazadispiro[4.0.56.35]tetradecane-13-carboxamide
PubChem CID134079159
Molecular FormulaC25H36N4O3
Molecular Weight440.59 g/mol
Exact Mass440.28
IUPAC NameN,N,3-trimethyl-4-oxo-9-(4-propylbenzoyl)-3,9,13-triazadispiro[4.0.56.35]tetradecane-13-carboxamide
SMILESCCCc1ccc(C(=O)N2CCC3(CC2)CN(C(=O)N(C)C)CC32CCN(C)C2=O)cc1
InChIInChI=1S/C25H36N4O3/c1-5-6-19-7-9-20(10-8-19)21(30)28-15-11-24(12-16-28)17-29(23(32)26(2)3)18-25(24)13-14-27(4)22(25)31/h7-10H,5-6,11-18H2,1-4H3
InChIKeyWMMJQUOAPKLSFA-UHFFFAOYSA-N
XLogP2.71
TPSA64.17 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500440.59
LogP ≤ 52.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

(5S)-3-ethyl-N,N-dimethyl-4-oxo-9-(pyridine-4-carbonyl)-3,9,13-triazadispiro[4.0.56.35]tetradecane-13-carboxamide
CID 97360621
(5R)-3-ethyl-9-(furan-2-carbonyl)-N,N-dimethyl-4-oxo-3,9,13-triazadispiro[4.0.56.35]tetradecane-13-carboxamide
CID 97360616
3-ethyl-N,N-dimethyl-4-oxo-9-(3-phenylpropanoyl)-3,9,13-triazadispiro[4.0.56.35]tetradecane-13-carboxamide
CID 131647382
9-(1,3-benzodioxole-5-carbonyl)-3-methyl-13-(2-methylpropyl)-3,9,13-triazadispiro[4.0.56.35]tetradecan-4-one
CID 134079128
13-acetyl-9-(furan-2-carbonyl)-3-methyl-3,9,13-triazadispiro[4.0.56.35]tetradecan-4-one
CID 131644960
3-ethyl-13-N,13-N-dimethyl-4-oxo-9-N-phenyl-3,9,13-triazadispiro[4.0.56.35]tetradecane-9,13-dicarboxamide
CID 131654262
(5R)-3-ethyl-9-(4-ethylbenzoyl)-13-(2-methylpropyl)-3,9,13-triazadispiro[4.0.56.35]tetradecan-4-one
CID 97439870
(5R)-3-ethyl-9-N-(4-fluorophenyl)-13-N,13-N-dimethyl-4-oxo-3,9,13-triazadispiro[4.0.56.35]tetradecane-9,13-dicarboxamide
CID 97440007
(5S)-3-ethyl-N,N-dimethyl-4-oxo-9-(pyridin-3-ylmethyl)-3,9,13-triazadispiro[4.0.56.35]tetradecane-13-carboxamide
CID 97360613
(5S)-3-ethyl-N,N-dimethyl-9-(oxane-4-carbonyl)-4-oxo-3,9,13-triazadispiro[4.0.56.35]tetradecane-13-carboxamide
CID 97360649
(5S)-3-ethyl-N,N-dimethyl-4-oxo-9-(2-thiophen-2-ylacetyl)-3,9,13-triazadispiro[4.0.56.35]tetradecane-13-carboxamide
CID 97439992
(4-cyclopropylidenepiperidin-1-yl)-(4-propylphenyl)methanone
CID 121186842

Frequently Asked Questions

What is the IUPAC name of N,N,3-trimethyl-4-oxo-9-(4-propylbenzoyl)-3,9,13-triazadispiro[4.0.56.35]tetradecane-13-carboxamide?
The IUPAC name of N,N,3-trimethyl-4-oxo-9-(4-propylbenzoyl)-3,9,13-triazadispiro[4.0.56.35]tetradecane-13-carboxamide (CID 134079159) is N,N,3-trimethyl-4-oxo-9-(4-propylbenzoyl)-3,9,13-triazadispiro[4.0.56.35]tetradecane-13-carboxamide.
What is the SMILES notation for N,N,3-trimethyl-4-oxo-9-(4-propylbenzoyl)-3,9,13-triazadispiro[4.0.56.35]tetradecane-13-carboxamide?
The canonical SMILES for N,N,3-trimethyl-4-oxo-9-(4-propylbenzoyl)-3,9,13-triazadispiro[4.0.56.35]tetradecane-13-carboxamide is CCCc1ccc(C(=O)N2CCC3(CC2)CN(C(=O)N(C)C)CC32CCN(C)C2=O)cc1.
What is the InChIKey of N,N,3-trimethyl-4-oxo-9-(4-propylbenzoyl)-3,9,13-triazadispiro[4.0.56.35]tetradecane-13-carboxamide?
The InChIKey is WMMJQUOAPKLSFA-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H36N4O3/c1-5-6-19-7-9-20(10-8-19)21(30)28-15-11-24(12-16-28)17-29(23(32)26(2)3)18-25(24)13-14-27(4)22(25)31/h7-10H,5-6,11-18H2,1-4H3.
What are the key properties of N,N,3-trimethyl-4-oxo-9-(4-propylbenzoyl)-3,9,13-triazadispiro[4.0.56.35]tetradecane-13-carboxamide?
N,N,3-trimethyl-4-oxo-9-(4-propylbenzoyl)-3,9,13-triazadispiro[4.0.56.35]tetradecane-13-carboxamide has a molecular weight of 440.59 g/mol, XLogP of 2.71, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N,N,3-trimethyl-4-oxo-9-(4-propylbenzoyl)-3,9,13-triazadispiro[4.0.56.35]tetradecane-13-carboxamide is sourced from PubChem (CID 134079159), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).