(5S,7S)-7-amino-2-[(2,4-dimethoxyphenyl)methyl]-2-azaspiro[4.5]decan-1-one

C18H26N2O3 — CID 58237137

IUPAC(5S,7S)-7-amino-2-[(2,4-dimethoxyphenyl)methyl]-2-azaspiro[4.5]decan-1-one
SMILESCOc1ccc(CN2CC[C@]3(CCC[C@H](N)C3)C2=O)c(OC)c1
InChIInChI=1S/C18H26N2O3/c1-22-15-6-5-13(16(10-15)23-2)12-20-9-8-18(17(20)21)7-3-4-14(19)11-18/h5-6,10,14H,3-4,7-9,11-12,19H2,1-2H3/t14-,18-/m0/s1
InChIKeyULJPJCSDNDHBAX-KSSFIOAISA-N
MW318.42 g/mol
LogP2.32
Rot. Bonds4

About (5S,7S)-7-amino-2-[(2,4-dimethoxyphenyl)methyl]-2-azaspiro[4.5]decan-1-one

(5S,7S)-7-amino-2-[(2,4-dimethoxyphenyl)methyl]-2-azaspiro[4.5]decan-1-one (PubChem CID 58237137) has the molecular formula C18H26N2O3 and a molecular weight of 318.42 g/mol. Its IUPAC name is (5S,7S)-7-amino-2-[(2,4-dimethoxyphenyl)methyl]-2-azaspiro[4.5]decan-1-one.

Molecular Properties

Compound Name(5S,7S)-7-amino-2-[(2,4-dimethoxyphenyl)methyl]-2-azaspiro[4.5]decan-1-one
PubChem CID58237137
Molecular FormulaC18H26N2O3
Molecular Weight318.42 g/mol
Exact Mass318.19
IUPAC Name(5S,7S)-7-amino-2-[(2,4-dimethoxyphenyl)methyl]-2-azaspiro[4.5]decan-1-one
SMILESCOc1ccc(CN2CC[C@]3(CCC[C@H](N)C3)C2=O)c(OC)c1
InChIInChI=1S/C18H26N2O3/c1-22-15-6-5-13(16(10-15)23-2)12-20-9-8-18(17(20)21)7-3-4-14(19)11-18/h5-6,10,14H,3-4,7-9,11-12,19H2,1-2H3/t14-,18-/m0/s1
InChIKeyULJPJCSDNDHBAX-KSSFIOAISA-N
XLogP2.32
TPSA64.79 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.42
LogP ≤ 52.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

methyl (5R,9R)-2-[(2,4-dimethoxyphenyl)methyl]-7,7-difluoro-1-oxo-2-azaspiro[4.5]decane-9-carboxylate
CID 67109187
3-amino-1-(2,4-dimethoxyphenyl)cyclohexan-1-ol
CID 80562191
(3S,4R)-3-amino-1-[(2,4-dimethoxyphenyl)methyl]-4-phenylazetidin-2-one
CID 131864147
tert-butyl N-[(7S)-2-[(4-methoxyphenyl)methyl]-1-oxo-2-azaspiro[4.5]decan-7-yl]carbamate
CID 67171905
1-[(2,4-dimethoxyphenyl)methyl]-4-[2-[(2,4-dimethoxyphenyl)methylamino]ethyl]piperazine-2,3-dione;hydrochloride
CID 139953981
(3R)-1-[(2,4-dimethoxyphenyl)methyl]-5-oxopyrrolidine-3-carboxamide
CID 97032922
1-[(2,4-dimethoxyphenyl)methyl]-5-oxopyrrolidine-3-carboxamide
CID 83290643
tert-butyl (4R)-2-[(2,4-dimethoxyphenyl)methyl]-3-oxo-2,5-diazaspiro[3.4]octane-5-carboxylate
CID 97305379
3-(1-tert-butyltetrazol-5-yl)-2-[(2,4-dimethoxyphenyl)methyl]-8-oxa-2-azaspiro[4.5]decan-1-one
CID 91909018
[1-[(2,4-dimethoxyphenyl)methyl]-2-oxopyrrolidin-3-yl]-triphenylphosphanium bromide
CID 170340198
1-[(2,4-dimethoxyphenyl)methyl]-4-(hydroxymethyl)-4-methylpyrrolidin-2-one
CID 131734574
1-[(2,4-dimethoxyphenyl)methyl]-5-oxopyrrolidine-3-carboxylic acid
CID 11254461

Frequently Asked Questions

What is the IUPAC name of (5S,7S)-7-amino-2-[(2,4-dimethoxyphenyl)methyl]-2-azaspiro[4.5]decan-1-one?
The IUPAC name of (5S,7S)-7-amino-2-[(2,4-dimethoxyphenyl)methyl]-2-azaspiro[4.5]decan-1-one (CID 58237137) is (5S,7S)-7-amino-2-[(2,4-dimethoxyphenyl)methyl]-2-azaspiro[4.5]decan-1-one.
What is the SMILES notation for (5S,7S)-7-amino-2-[(2,4-dimethoxyphenyl)methyl]-2-azaspiro[4.5]decan-1-one?
The canonical SMILES for (5S,7S)-7-amino-2-[(2,4-dimethoxyphenyl)methyl]-2-azaspiro[4.5]decan-1-one is COc1ccc(CN2CC[C@]3(CCC[C@H](N)C3)C2=O)c(OC)c1.
What is the InChIKey of (5S,7S)-7-amino-2-[(2,4-dimethoxyphenyl)methyl]-2-azaspiro[4.5]decan-1-one?
The InChIKey is ULJPJCSDNDHBAX-KSSFIOAISA-N. The full InChI is InChI=1S/C18H26N2O3/c1-22-15-6-5-13(16(10-15)23-2)12-20-9-8-18(17(20)21)7-3-4-14(19)11-18/h5-6,10,14H,3-4,7-9,11-12,19H2,1-2H3/t14-,18-/m0/s1.
What are the key properties of (5S,7S)-7-amino-2-[(2,4-dimethoxyphenyl)methyl]-2-azaspiro[4.5]decan-1-one?
(5S,7S)-7-amino-2-[(2,4-dimethoxyphenyl)methyl]-2-azaspiro[4.5]decan-1-one has a molecular weight of 318.42 g/mol, XLogP of 2.32, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (5S,7S)-7-amino-2-[(2,4-dimethoxyphenyl)methyl]-2-azaspiro[4.5]decan-1-one is sourced from PubChem (CID 58237137), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).