(5S)-N-(5-methoxy-2-methylphenyl)-7-methyl-2,7-diazaspiro[4.4]nonane-2-carboxamide

C17H25N3O2 — CID 97276888

IUPAC(5S)-N-(5-methoxy-2-methylphenyl)-7-methyl-2,7-diazaspiro[4.4]nonane-2-carboxamide
SMILESCOc1ccc(C)c(NC(=O)N2CC[C@]3(CCN(C)C3)C2)c1
InChIInChI=1S/C17H25N3O2/c1-13-4-5-14(22-3)10-15(13)18-16(21)20-9-7-17(12-20)6-8-19(2)11-17/h4-5,10H,6-9,11-12H2,1-3H3,(H,18,21)/t17-/m0/s1
InChIKeyOYTDQZVKBRPTKN-KRWDZBQOSA-N
MW303.41 g/mol
LogP2.56
Rot. Bonds2

About (5S)-N-(5-methoxy-2-methylphenyl)-7-methyl-2,7-diazaspiro[4.4]nonane-2-carboxamide

(5S)-N-(5-methoxy-2-methylphenyl)-7-methyl-2,7-diazaspiro[4.4]nonane-2-carboxamide (PubChem CID 97276888) has the molecular formula C17H25N3O2 and a molecular weight of 303.41 g/mol. Its IUPAC name is (5S)-N-(5-methoxy-2-methylphenyl)-7-methyl-2,7-diazaspiro[4.4]nonane-2-carboxamide.

Molecular Properties

Compound Name(5S)-N-(5-methoxy-2-methylphenyl)-7-methyl-2,7-diazaspiro[4.4]nonane-2-carboxamide
PubChem CID97276888
Molecular FormulaC17H25N3O2
Molecular Weight303.41 g/mol
Exact Mass303.19
IUPAC Name(5S)-N-(5-methoxy-2-methylphenyl)-7-methyl-2,7-diazaspiro[4.4]nonane-2-carboxamide
SMILESCOc1ccc(C)c(NC(=O)N2CC[C@]3(CCN(C)C3)C2)c1
InChIInChI=1S/C17H25N3O2/c1-13-4-5-14(22-3)10-15(13)18-16(21)20-9-7-17(12-20)6-8-19(2)11-17/h4-5,10H,6-9,11-12H2,1-3H3,(H,18,21)/t17-/m0/s1
InChIKeyOYTDQZVKBRPTKN-KRWDZBQOSA-N
XLogP2.56
TPSA44.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.41
LogP ≤ 52.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[2-(4-methoxyphenyl)ethyl]-7-methyl-2,7-diazaspiro[4.4]nonane-2-carboxamide
CID 167881078
(4-methoxy-2-methylphenyl)-[(5S)-2-methyl-2,7-diazaspiro[4.5]decan-7-yl]methanone
CID 95218279
(3-methoxyphenyl)-(7-methyl-2,7-diazaspiro[4.4]nonan-2-yl)methanone
CID 134078666
2-methyl-N-(2,4,5-trifluorophenyl)-2,7-diazaspiro[4.5]decane-7-carboxamide
CID 72861534
(5R)-2-methyl-N-(2,4,5-trifluorophenyl)-2,7-diazaspiro[4.5]decane-7-carboxamide
CID 97436544
(7-methoxyquinolin-3-yl)-(7-methyl-2,7-diazaspiro[4.4]nonan-2-yl)methanone
CID 171681019
N-(5-fluoro-2-methylphenyl)-3,3-dimethylpyrrolidine-1-carboxamide
CID 69203446
(3R)-5-methoxy-N-(2-methylphenyl)-2-oxospiro[1H-indole-3,3'-pyrrolidine]-1'-carboxamide
CID 95103847
4-methoxy-2-[(4-methylpiperazine-1-carbonyl)amino]benzoic acid
CID 115411987
N-(2-amino-5-methoxyphenyl)piperidine-1-carboxamide
CID 79155990
2-(1-aminocyclobutyl)-N-(5-methoxy-2-methylphenyl)acetamide
CID 113266134
N-(4-methyl-3-pyridinyl)-2-azaspiro[4.4]nonane-2-carboxamide
CID 146084717

Frequently Asked Questions

What is the IUPAC name of (5S)-N-(5-methoxy-2-methylphenyl)-7-methyl-2,7-diazaspiro[4.4]nonane-2-carboxamide?
The IUPAC name of (5S)-N-(5-methoxy-2-methylphenyl)-7-methyl-2,7-diazaspiro[4.4]nonane-2-carboxamide (CID 97276888) is (5S)-N-(5-methoxy-2-methylphenyl)-7-methyl-2,7-diazaspiro[4.4]nonane-2-carboxamide.
What is the SMILES notation for (5S)-N-(5-methoxy-2-methylphenyl)-7-methyl-2,7-diazaspiro[4.4]nonane-2-carboxamide?
The canonical SMILES for (5S)-N-(5-methoxy-2-methylphenyl)-7-methyl-2,7-diazaspiro[4.4]nonane-2-carboxamide is COc1ccc(C)c(NC(=O)N2CC[C@]3(CCN(C)C3)C2)c1.
What is the InChIKey of (5S)-N-(5-methoxy-2-methylphenyl)-7-methyl-2,7-diazaspiro[4.4]nonane-2-carboxamide?
The InChIKey is OYTDQZVKBRPTKN-KRWDZBQOSA-N. The full InChI is InChI=1S/C17H25N3O2/c1-13-4-5-14(22-3)10-15(13)18-16(21)20-9-7-17(12-20)6-8-19(2)11-17/h4-5,10H,6-9,11-12H2,1-3H3,(H,18,21)/t17-/m0/s1.
What are the key properties of (5S)-N-(5-methoxy-2-methylphenyl)-7-methyl-2,7-diazaspiro[4.4]nonane-2-carboxamide?
(5S)-N-(5-methoxy-2-methylphenyl)-7-methyl-2,7-diazaspiro[4.4]nonane-2-carboxamide has a molecular weight of 303.41 g/mol, XLogP of 2.56, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (5S)-N-(5-methoxy-2-methylphenyl)-7-methyl-2,7-diazaspiro[4.4]nonane-2-carboxamide is sourced from PubChem (CID 97276888), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).