N-[2-(4-methoxyphenyl)ethyl]-7-methyl-2,7-diazaspiro[4.4]nonane-2-carboxamide

C18H27N3O2 — CID 167881078

IUPACN-[2-(4-methoxyphenyl)ethyl]-7-methyl-2,7-diazaspiro[4.4]nonane-2-carboxamide
SMILESCOc1ccc(CCNC(=O)N2CCC3(CCN(C)C3)C2)cc1
InChIInChI=1S/C18H27N3O2/c1-20-11-8-18(13-20)9-12-21(14-18)17(22)19-10-7-15-3-5-16(23-2)6-4-15/h3-6H,7-14H2,1-2H3,(H,19,22)
InChIKeyXFOSSNTUXSDHJE-UHFFFAOYSA-N
MW317.43 g/mol
LogP1.97
Rot. Bonds4

About N-[2-(4-methoxyphenyl)ethyl]-7-methyl-2,7-diazaspiro[4.4]nonane-2-carboxamide

N-[2-(4-methoxyphenyl)ethyl]-7-methyl-2,7-diazaspiro[4.4]nonane-2-carboxamide (PubChem CID 167881078) has the molecular formula C18H27N3O2 and a molecular weight of 317.43 g/mol. Its IUPAC name is N-[2-(4-methoxyphenyl)ethyl]-7-methyl-2,7-diazaspiro[4.4]nonane-2-carboxamide.

Molecular Properties

Compound NameN-[2-(4-methoxyphenyl)ethyl]-7-methyl-2,7-diazaspiro[4.4]nonane-2-carboxamide
PubChem CID167881078
Molecular FormulaC18H27N3O2
Molecular Weight317.43 g/mol
Exact Mass317.21
IUPAC NameN-[2-(4-methoxyphenyl)ethyl]-7-methyl-2,7-diazaspiro[4.4]nonane-2-carboxamide
SMILESCOc1ccc(CCNC(=O)N2CCC3(CCN(C)C3)C2)cc1
InChIInChI=1S/C18H27N3O2/c1-20-11-8-18(13-20)9-12-21(14-18)17(22)19-10-7-15-3-5-16(23-2)6-4-15/h3-6H,7-14H2,1-2H3,(H,19,22)
InChIKeyXFOSSNTUXSDHJE-UHFFFAOYSA-N
XLogP1.97
TPSA44.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.43
LogP ≤ 51.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(5S)-N-(5-methoxy-2-methylphenyl)-7-methyl-2,7-diazaspiro[4.4]nonane-2-carboxamide
CID 97276888
N-[2-(4-methoxyphenyl)ethyl]-4-(2-phenylethyl)piperazine-1-carboxamide
CID 35961140
N-[2-(4-methoxyphenyl)ethyl]-N'-methyl-2-azaspiro[4.4]nonane-2-carboximidamide;hydroiodide
CID 111733248
4-cyclopropyl-N-[2-(4-methoxyphenyl)ethyl]piperazine-1-carboxamide
CID 113103421
(9aR)-N-[2-(4-methoxyphenyl)ethyl]-8-methyl-3,4,6,7,9,9a-hexahydro-1H-pyrazino[1,2-a]pyrazine-2-carboxamide
CID 98742869
(9aS)-N-[2-(4-methoxyphenyl)ethyl]-8-methyl-3,4,6,7,9,9a-hexahydro-1H-pyrazino[1,2-a]pyrazine-2-carboxamide
CID 95127897
1-N,1-N'-bis[2-(4-methoxyphenyl)ethyl]cyclopropane-1,1-dicarboxamide
CID 108977727
N-[2-(4-methoxyphenyl)ethyl]spiro[2,4-dihydro-1H-isoquinoline-3,4'-piperidine]-1'-carboxamide
CID 175653653
N-[2-(4-methoxyphenyl)ethyl]-3-(4-methylpiperazin-1-yl)-3-oxopropanamide
CID 108944346
N-[4-(4-methoxyphenyl)butyl]pyrrolidine-1-carboxamide
CID 75377861
N-[2-(4-chlorophenyl)ethyl]-4-(4-methoxyphenyl)piperazine-1-carboxamide
CID 108989697
3-(methoxymethyl)-N-[2-(4-methoxyphenyl)ethyl]piperidine-1-carboxamide
CID 90505512

Frequently Asked Questions

What is the IUPAC name of N-[2-(4-methoxyphenyl)ethyl]-7-methyl-2,7-diazaspiro[4.4]nonane-2-carboxamide?
The IUPAC name of N-[2-(4-methoxyphenyl)ethyl]-7-methyl-2,7-diazaspiro[4.4]nonane-2-carboxamide (CID 167881078) is N-[2-(4-methoxyphenyl)ethyl]-7-methyl-2,7-diazaspiro[4.4]nonane-2-carboxamide.
What is the SMILES notation for N-[2-(4-methoxyphenyl)ethyl]-7-methyl-2,7-diazaspiro[4.4]nonane-2-carboxamide?
The canonical SMILES for N-[2-(4-methoxyphenyl)ethyl]-7-methyl-2,7-diazaspiro[4.4]nonane-2-carboxamide is COc1ccc(CCNC(=O)N2CCC3(CCN(C)C3)C2)cc1.
What is the InChIKey of N-[2-(4-methoxyphenyl)ethyl]-7-methyl-2,7-diazaspiro[4.4]nonane-2-carboxamide?
The InChIKey is XFOSSNTUXSDHJE-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H27N3O2/c1-20-11-8-18(13-20)9-12-21(14-18)17(22)19-10-7-15-3-5-16(23-2)6-4-15/h3-6H,7-14H2,1-2H3,(H,19,22).
What are the key properties of N-[2-(4-methoxyphenyl)ethyl]-7-methyl-2,7-diazaspiro[4.4]nonane-2-carboxamide?
N-[2-(4-methoxyphenyl)ethyl]-7-methyl-2,7-diazaspiro[4.4]nonane-2-carboxamide has a molecular weight of 317.43 g/mol, XLogP of 1.97, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-methoxyphenyl)ethyl]-7-methyl-2,7-diazaspiro[4.4]nonane-2-carboxamide is sourced from PubChem (CID 167881078), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).