(6S,10S)-3-[[2-(3,4-dimethoxyphenyl)ethyl-methylamino]methyl]-6,10-dimethyl-1,3-diazaspiro[4.5]decane-2,4-dione

C22H33N3O4 — CID 34525393

IUPAC(6S,10S)-3-[[2-(3,4-dimethoxyphenyl)ethyl-methylamino]methyl]-6,10-dimethyl-1,3-diazaspiro[4.5]decane-2,4-dione
SMILESCOc1ccc(CCN(C)CN2C(=O)NC3(C2=O)[C@@H](C)CCC[C@@H]3C)cc1OC
InChIInChI=1S/C22H33N3O4/c1-15-7-6-8-16(2)22(15)20(26)25(21(27)23-22)14-24(3)12-11-17-9-10-18(28-4)19(13-17)29-5/h9-10,13,15-16H,6-8,11-12,14H2,1-5H3,(H,23,27)/t15-,16-/m0/s1
InChIKeyJGWMQHPYHIRAPM-HOTGVXAUSA-N
MW403.52 g/mol
LogP2.88
Rot. Bonds7

About (6S,10S)-3-[[2-(3,4-dimethoxyphenyl)ethyl-methylamino]methyl]-6,10-dimethyl-1,3-diazaspiro[4.5]decane-2,4-dione

(6S,10S)-3-[[2-(3,4-dimethoxyphenyl)ethyl-methylamino]methyl]-6,10-dimethyl-1,3-diazaspiro[4.5]decane-2,4-dione (PubChem CID 34525393) has the molecular formula C22H33N3O4 and a molecular weight of 403.52 g/mol. Its IUPAC name is (6S,10S)-3-[[2-(3,4-dimethoxyphenyl)ethyl-methylamino]methyl]-6,10-dimethyl-1,3-diazaspiro[4.5]decane-2,4-dione.

Molecular Properties

Compound Name(6S,10S)-3-[[2-(3,4-dimethoxyphenyl)ethyl-methylamino]methyl]-6,10-dimethyl-1,3-diazaspiro[4.5]decane-2,4-dione
PubChem CID34525393
Molecular FormulaC22H33N3O4
Molecular Weight403.52 g/mol
Exact Mass403.25
IUPAC Name(6S,10S)-3-[[2-(3,4-dimethoxyphenyl)ethyl-methylamino]methyl]-6,10-dimethyl-1,3-diazaspiro[4.5]decane-2,4-dione
SMILESCOc1ccc(CCN(C)CN2C(=O)NC3(C2=O)[C@@H](C)CCC[C@@H]3C)cc1OC
InChIInChI=1S/C22H33N3O4/c1-15-7-6-8-16(2)22(15)20(26)25(21(27)23-22)14-24(3)12-11-17-9-10-18(28-4)19(13-17)29-5/h9-10,13,15-16H,6-8,11-12,14H2,1-5H3,(H,23,27)/t15-,16-/m0/s1
InChIKeyJGWMQHPYHIRAPM-HOTGVXAUSA-N
XLogP2.88
TPSA71.11 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500403.52
LogP ≤ 52.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydantoin', 'substructure': 'N/A'}

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Related Compounds

(3aR,7aR)-2-[[2-(3,4-dimethoxyphenyl)ethyl-methylamino]methyl]-3a,4,7,7a-tetrahydroisoindole-1,3-dione
CID 6363602
6,10-dimethyl-3-[[methyl(1,2,3,4-tetrahydronaphthalen-1-yl)amino]methyl]-1,3-diazaspiro[4.5]decane-2,4-dione
CID 42890891
3-[[[4-(difluoromethoxy)-3-methoxyphenyl]methyl-methylamino]methyl]-6-methyl-1,3-diazaspiro[4.5]decane-2,4-dione
CID 17473788
3-[[[4-(difluoromethoxy)-3-methoxyphenyl]methyl-methylamino]methyl]-8-methyl-1,3-diazaspiro[4.5]decane-2,4-dione
CID 27082474
2-(3,4-dimethoxyphenyl)-N-ethyl-N-methylethanamine
CID 18789952
(5S,6R)-3-[[(5-bromo-2-methoxyphenyl)methyl-methylamino]methyl]-6-methyl-1,3-diazaspiro[4.5]decane-2,4-dione
CID 51673256
(5S,6S)-3-[[(4,5-dimethoxy-2-methylphenyl)methyl-methylamino]methyl]-6-methyl-1,3-diazaspiro[4.5]decane-2,4-dione
CID 11938004
2-(3,4-dimethoxyphenyl)-N-methyl-N-[[(3R)-1-methylpyrrolidin-3-yl]methyl]ethanamine
CID 124753174
2-[(3R)-3-[2-(3,4-dimethoxyphenyl)ethyl-methylamino]piperidin-1-yl]-2-oxoacetamide
CID 95726350
2-(3,4-dimethoxyphenyl)-N-methyl-N-(morpholin-2-ylmethyl)ethanamine
CID 42849152
3-[3-[2-(3,4-dimethoxyphenyl)ethyl-methylamino]cyclohexyl]-7,8-dimethoxy-2,5-dihydro-1H-3-benzazepin-4-one
CID 50902958
3-[2-(3,4-dimethoxyphenyl)ethyl-methylamino]propane-1-thiol
CID 115225219

Frequently Asked Questions

What is the IUPAC name of (6S,10S)-3-[[2-(3,4-dimethoxyphenyl)ethyl-methylamino]methyl]-6,10-dimethyl-1,3-diazaspiro[4.5]decane-2,4-dione?
The IUPAC name of (6S,10S)-3-[[2-(3,4-dimethoxyphenyl)ethyl-methylamino]methyl]-6,10-dimethyl-1,3-diazaspiro[4.5]decane-2,4-dione (CID 34525393) is (6S,10S)-3-[[2-(3,4-dimethoxyphenyl)ethyl-methylamino]methyl]-6,10-dimethyl-1,3-diazaspiro[4.5]decane-2,4-dione.
What is the SMILES notation for (6S,10S)-3-[[2-(3,4-dimethoxyphenyl)ethyl-methylamino]methyl]-6,10-dimethyl-1,3-diazaspiro[4.5]decane-2,4-dione?
The canonical SMILES for (6S,10S)-3-[[2-(3,4-dimethoxyphenyl)ethyl-methylamino]methyl]-6,10-dimethyl-1,3-diazaspiro[4.5]decane-2,4-dione is COc1ccc(CCN(C)CN2C(=O)NC3(C2=O)[C@@H](C)CCC[C@@H]3C)cc1OC.
What is the InChIKey of (6S,10S)-3-[[2-(3,4-dimethoxyphenyl)ethyl-methylamino]methyl]-6,10-dimethyl-1,3-diazaspiro[4.5]decane-2,4-dione?
The InChIKey is JGWMQHPYHIRAPM-HOTGVXAUSA-N. The full InChI is InChI=1S/C22H33N3O4/c1-15-7-6-8-16(2)22(15)20(26)25(21(27)23-22)14-24(3)12-11-17-9-10-18(28-4)19(13-17)29-5/h9-10,13,15-16H,6-8,11-12,14H2,1-5H3,(H,23,27)/t15-,16-/m0/s1.
What are the key properties of (6S,10S)-3-[[2-(3,4-dimethoxyphenyl)ethyl-methylamino]methyl]-6,10-dimethyl-1,3-diazaspiro[4.5]decane-2,4-dione?
(6S,10S)-3-[[2-(3,4-dimethoxyphenyl)ethyl-methylamino]methyl]-6,10-dimethyl-1,3-diazaspiro[4.5]decane-2,4-dione has a molecular weight of 403.52 g/mol, XLogP of 2.88, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (6S,10S)-3-[[2-(3,4-dimethoxyphenyl)ethyl-methylamino]methyl]-6,10-dimethyl-1,3-diazaspiro[4.5]decane-2,4-dione is sourced from PubChem (CID 34525393), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).