(6S)-4-[2-(2-methoxy-4-methylphenoxy)ethyl]-1,10-dimethyl-1,4,10-triazaspiro[5.6]dodecan-9-one

C21H33N3O3 — CID 97125922

IUPAC(6S)-4-[2-(2-methoxy-4-methylphenoxy)ethyl]-1,10-dimethyl-1,4,10-triazaspiro[5.6]dodecan-9-one
SMILESCOc1cc(C)ccc1OCCN1CCN(C)[C@]2(CCC(=O)N(C)CC2)C1
InChIInChI=1S/C21H33N3O3/c1-17-5-6-18(19(15-17)26-4)27-14-13-24-12-11-23(3)21(16-24)8-7-20(25)22(2)10-9-21/h5-6,15H,7-14,16H2,1-4H3/t21-/m0/s1
InChIKeyDCOGQJWSBGVDDY-NRFANRHFSA-N
MW375.51 g/mol
LogP2.01
Rot. Bonds5

About (6S)-4-[2-(2-methoxy-4-methylphenoxy)ethyl]-1,10-dimethyl-1,4,10-triazaspiro[5.6]dodecan-9-one

(6S)-4-[2-(2-methoxy-4-methylphenoxy)ethyl]-1,10-dimethyl-1,4,10-triazaspiro[5.6]dodecan-9-one (PubChem CID 97125922) has the molecular formula C21H33N3O3 and a molecular weight of 375.51 g/mol. Its IUPAC name is (6S)-4-[2-(2-methoxy-4-methylphenoxy)ethyl]-1,10-dimethyl-1,4,10-triazaspiro[5.6]dodecan-9-one.

Molecular Properties

Compound Name(6S)-4-[2-(2-methoxy-4-methylphenoxy)ethyl]-1,10-dimethyl-1,4,10-triazaspiro[5.6]dodecan-9-one
PubChem CID97125922
Molecular FormulaC21H33N3O3
Molecular Weight375.51 g/mol
Exact Mass375.25
IUPAC Name(6S)-4-[2-(2-methoxy-4-methylphenoxy)ethyl]-1,10-dimethyl-1,4,10-triazaspiro[5.6]dodecan-9-one
SMILESCOc1cc(C)ccc1OCCN1CCN(C)[C@]2(CCC(=O)N(C)CC2)C1
InChIInChI=1S/C21H33N3O3/c1-17-5-6-18(19(15-17)26-4)27-14-13-24-12-11-23(3)21(16-24)8-7-20(25)22(2)10-9-21/h5-6,15H,7-14,16H2,1-4H3/t21-/m0/s1
InChIKeyDCOGQJWSBGVDDY-NRFANRHFSA-N
XLogP2.01
TPSA45.25 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.51
LogP ≤ 52.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze (6S)-4-[2-(2-methoxy-4-methylphenoxy)ethyl]-1,10-dimethyl-1,4,10-triazaspiro[5.6]dodecan-9-one with MolForge

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Launch Full Analysis

Related Compounds

(6R)-4-[(4-methoxy-2,5-dimethylphenyl)methyl]-1,10-dimethyl-1,4,10-triazaspiro[5.6]dodecan-9-one
CID 100905563
(6S)-4-[(3,4-dimethoxy-2-pyridinyl)methyl]-1,10-dimethyl-1,4,10-triazaspiro[5.6]dodecan-9-one
CID 97201249
1,10-dimethyl-4-(2-propoxyethyl)-1,4,10-triazaspiro[5.6]dodecan-9-one
CID 70710897
2-cyclopropyl-8-[2-(2-methoxy-4-methylphenoxy)ethyl]-2,8-diazaspiro[5.5]undecan-3-one
CID 72877434
(6R)-4-[(E)-3-(2-methoxyphenyl)prop-2-enyl]-1,10-dimethyl-1,4,10-triazaspiro[5.6]dodecan-9-one
CID 97154134
4-[2-(3,4-dimethylphenoxy)ethyl]-1-methyl-10-prop-2-enyl-1,4,10-triazaspiro[5.6]dodecan-9-one
CID 70718122
4-[[4-ethoxy-3-(hydroxymethyl)phenyl]methyl]-1,10-dimethyl-1,4,10-triazaspiro[5.6]dodecan-9-one
CID 70775733
1,10-dimethyl-4-(3-phenylmethoxypropyl)-1,4,10-triazaspiro[5.6]dodecan-9-one
CID 70722921
(6S)-4-(furan-3-ylmethyl)-1,10-dimethyl-1,4,10-triazaspiro[5.6]dodecan-9-one
CID 97204877
4-[(4-tert-butylphenyl)methyl]-1,10-dimethyl-1,4,10-triazaspiro[5.6]dodecan-9-one
CID 70759678
(6S)-4-[2-(4-chlorophenoxy)ethyl]-10-ethyl-1-methyl-1,4,10-triazaspiro[5.6]dodecan-9-one
CID 97123989
(6S)-1,10-dimethyl-4-[[4-(trifluoromethyl)phenyl]methyl]-1,4,10-triazaspiro[5.6]dodecan-9-one
CID 97132062

Frequently Asked Questions

What is the IUPAC name of (6S)-4-[2-(2-methoxy-4-methylphenoxy)ethyl]-1,10-dimethyl-1,4,10-triazaspiro[5.6]dodecan-9-one?
The IUPAC name of (6S)-4-[2-(2-methoxy-4-methylphenoxy)ethyl]-1,10-dimethyl-1,4,10-triazaspiro[5.6]dodecan-9-one (CID 97125922) is (6S)-4-[2-(2-methoxy-4-methylphenoxy)ethyl]-1,10-dimethyl-1,4,10-triazaspiro[5.6]dodecan-9-one.
What is the SMILES notation for (6S)-4-[2-(2-methoxy-4-methylphenoxy)ethyl]-1,10-dimethyl-1,4,10-triazaspiro[5.6]dodecan-9-one?
The canonical SMILES for (6S)-4-[2-(2-methoxy-4-methylphenoxy)ethyl]-1,10-dimethyl-1,4,10-triazaspiro[5.6]dodecan-9-one is COc1cc(C)ccc1OCCN1CCN(C)[C@]2(CCC(=O)N(C)CC2)C1.
What is the InChIKey of (6S)-4-[2-(2-methoxy-4-methylphenoxy)ethyl]-1,10-dimethyl-1,4,10-triazaspiro[5.6]dodecan-9-one?
The InChIKey is DCOGQJWSBGVDDY-NRFANRHFSA-N. The full InChI is InChI=1S/C21H33N3O3/c1-17-5-6-18(19(15-17)26-4)27-14-13-24-12-11-23(3)21(16-24)8-7-20(25)22(2)10-9-21/h5-6,15H,7-14,16H2,1-4H3/t21-/m0/s1.
What are the key properties of (6S)-4-[2-(2-methoxy-4-methylphenoxy)ethyl]-1,10-dimethyl-1,4,10-triazaspiro[5.6]dodecan-9-one?
(6S)-4-[2-(2-methoxy-4-methylphenoxy)ethyl]-1,10-dimethyl-1,4,10-triazaspiro[5.6]dodecan-9-one has a molecular weight of 375.51 g/mol, XLogP of 2.01, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (6S)-4-[2-(2-methoxy-4-methylphenoxy)ethyl]-1,10-dimethyl-1,4,10-triazaspiro[5.6]dodecan-9-one is sourced from PubChem (CID 97125922), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).