13-acetyl-N-(3-methoxyphenyl)-3-methyl-4-oxo-3,9,13-triazadispiro[4.0.56.35]tetradecane-9-carboxamide

C22H30N4O4 — CID 131644903

IUPAC13-acetyl-N-(3-methoxyphenyl)-3-methyl-4-oxo-3,9,13-triazadispiro[4.0.56.35]tetradecane-9-carboxamide
SMILESCOc1cccc(NC(=O)N2CCC3(CC2)CN(C(C)=O)CC32CCN(C)C2=O)c1
InChIInChI=1S/C22H30N4O4/c1-16(27)26-14-21(22(15-26)9-10-24(2)19(22)28)7-11-25(12-8-21)20(29)23-17-5-4-6-18(13-17)30-3/h4-6,13H,7-12,14-15H2,1-3H3,(H,23,29)
InChIKeyXPDJDYSESUYEFN-UHFFFAOYSA-N
MW414.51 g/mol
LogP2.02
Rot. Bonds2

About 13-acetyl-N-(3-methoxyphenyl)-3-methyl-4-oxo-3,9,13-triazadispiro[4.0.56.35]tetradecane-9-carboxamide

13-acetyl-N-(3-methoxyphenyl)-3-methyl-4-oxo-3,9,13-triazadispiro[4.0.56.35]tetradecane-9-carboxamide (PubChem CID 131644903) has the molecular formula C22H30N4O4 and a molecular weight of 414.51 g/mol. Its IUPAC name is 13-acetyl-N-(3-methoxyphenyl)-3-methyl-4-oxo-3,9,13-triazadispiro[4.0.56.35]tetradecane-9-carboxamide.

Molecular Properties

Compound Name13-acetyl-N-(3-methoxyphenyl)-3-methyl-4-oxo-3,9,13-triazadispiro[4.0.56.35]tetradecane-9-carboxamide
PubChem CID131644903
Molecular FormulaC22H30N4O4
Molecular Weight414.51 g/mol
Exact Mass414.23
IUPAC Name13-acetyl-N-(3-methoxyphenyl)-3-methyl-4-oxo-3,9,13-triazadispiro[4.0.56.35]tetradecane-9-carboxamide
SMILESCOc1cccc(NC(=O)N2CCC3(CC2)CN(C(C)=O)CC32CCN(C)C2=O)c1
InChIInChI=1S/C22H30N4O4/c1-16(27)26-14-21(22(15-26)9-10-24(2)19(22)28)7-11-25(12-8-21)20(29)23-17-5-4-6-18(13-17)30-3/h4-6,13H,7-12,14-15H2,1-3H3,(H,23,29)
InChIKeyXPDJDYSESUYEFN-UHFFFAOYSA-N
XLogP2.02
TPSA82.19 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500414.51
LogP ≤ 52.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(3-methoxyphenyl)-4-methyl-4-(methylamino)piperidine-1-carboxamide
CID 115304682
(3aR,6aS)-5-acetyl-N-(3-methoxyphenyl)-2-methyl-1-oxospiro[3a,4,6,6a-tetrahydropyrrolo[3,4-c]pyrrole-3,4'-piperidine]-1'-carboxamide
CID 125234117
13-acetyl-9-(2-methoxyacetyl)-3-methyl-3,9,13-triazadispiro[4.0.56.35]tetradecan-4-one
CID 131640247
(3R)-3-hydroxy-N-(3-methoxyphenyl)-3-(trifluoromethyl)pyrrolidine-1-carboxamide
CID 95784287
(5R)-9-(3-methoxybenzoyl)-3-methyl-13-methylsulfonyl-3,9,13-triazadispiro[4.0.56.35]tetradecan-4-one
CID 97439611
N-(3-methoxyphenyl)-2,8-diazaspiro[4.5]decane-8-carboxamide;hydrochloride
CID 169490453
13-acetyl-9-(furan-2-carbonyl)-3-methyl-3,9,13-triazadispiro[4.0.56.35]tetradecan-4-one
CID 131644960
4-cyclopentyl-4-hydroxy-N-(3-methoxyphenyl)piperidine-1-carboxamide
CID 23071820
N-(3-methoxyphenyl)-4-phenylpiperazine-1-carboxamide
CID 6469276
3-ethyl-N-(3-ethylphenyl)-13-(2-methoxyethyl)-4-oxo-3,9,13-triazadispiro[4.0.56.35]tetradecane-9-carboxamide
CID 131640724
(5R)-N-(3-methoxyphenyl)-4-oxo-13-(pyridin-3-ylmethyl)-3,9,13-triazadispiro[4.0.56.35]tetradecane-9-carboxamide
CID 97410326
(3R)-3-hydroxy-N-(3-methoxyphenyl)pyrrolidine-1-carboxamide
CID 63362733

Frequently Asked Questions

What is the IUPAC name of 13-acetyl-N-(3-methoxyphenyl)-3-methyl-4-oxo-3,9,13-triazadispiro[4.0.56.35]tetradecane-9-carboxamide?
The IUPAC name of 13-acetyl-N-(3-methoxyphenyl)-3-methyl-4-oxo-3,9,13-triazadispiro[4.0.56.35]tetradecane-9-carboxamide (CID 131644903) is 13-acetyl-N-(3-methoxyphenyl)-3-methyl-4-oxo-3,9,13-triazadispiro[4.0.56.35]tetradecane-9-carboxamide.
What is the SMILES notation for 13-acetyl-N-(3-methoxyphenyl)-3-methyl-4-oxo-3,9,13-triazadispiro[4.0.56.35]tetradecane-9-carboxamide?
The canonical SMILES for 13-acetyl-N-(3-methoxyphenyl)-3-methyl-4-oxo-3,9,13-triazadispiro[4.0.56.35]tetradecane-9-carboxamide is COc1cccc(NC(=O)N2CCC3(CC2)CN(C(C)=O)CC32CCN(C)C2=O)c1.
What is the InChIKey of 13-acetyl-N-(3-methoxyphenyl)-3-methyl-4-oxo-3,9,13-triazadispiro[4.0.56.35]tetradecane-9-carboxamide?
The InChIKey is XPDJDYSESUYEFN-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H30N4O4/c1-16(27)26-14-21(22(15-26)9-10-24(2)19(22)28)7-11-25(12-8-21)20(29)23-17-5-4-6-18(13-17)30-3/h4-6,13H,7-12,14-15H2,1-3H3,(H,23,29).
What are the key properties of 13-acetyl-N-(3-methoxyphenyl)-3-methyl-4-oxo-3,9,13-triazadispiro[4.0.56.35]tetradecane-9-carboxamide?
13-acetyl-N-(3-methoxyphenyl)-3-methyl-4-oxo-3,9,13-triazadispiro[4.0.56.35]tetradecane-9-carboxamide has a molecular weight of 414.51 g/mol, XLogP of 2.02, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 13-acetyl-N-(3-methoxyphenyl)-3-methyl-4-oxo-3,9,13-triazadispiro[4.0.56.35]tetradecane-9-carboxamide is sourced from PubChem (CID 131644903), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).