N-[3-[methyl(propan-2-yl)amino]phenyl]-8-oxa-2-azaspiro[4.5]decane-2-carboxamide

C19H29N3O2 — CID 71992230

IUPACN-[3-[methyl(propan-2-yl)amino]phenyl]-8-oxa-2-azaspiro[4.5]decane-2-carboxamide
SMILESCC(C)N(C)c1cccc(NC(=O)N2CCC3(CCOCC3)C2)c1
InChIInChI=1S/C19H29N3O2/c1-15(2)21(3)17-6-4-5-16(13-17)20-18(23)22-10-7-19(14-22)8-11-24-12-9-19/h4-6,13,15H,7-12,14H2,1-3H3,(H,20,23)
InChIKeyNOGBGFCQDHMLSV-UHFFFAOYSA-N
MW331.46 g/mol
LogP3.57
Rot. Bonds3

About N-[3-[methyl(propan-2-yl)amino]phenyl]-8-oxa-2-azaspiro[4.5]decane-2-carboxamide

N-[3-[methyl(propan-2-yl)amino]phenyl]-8-oxa-2-azaspiro[4.5]decane-2-carboxamide (PubChem CID 71992230) has the molecular formula C19H29N3O2 and a molecular weight of 331.46 g/mol. Its IUPAC name is N-[3-[methyl(propan-2-yl)amino]phenyl]-8-oxa-2-azaspiro[4.5]decane-2-carboxamide.

Molecular Properties

Compound NameN-[3-[methyl(propan-2-yl)amino]phenyl]-8-oxa-2-azaspiro[4.5]decane-2-carboxamide
PubChem CID71992230
Molecular FormulaC19H29N3O2
Molecular Weight331.46 g/mol
Exact Mass331.23
IUPAC NameN-[3-[methyl(propan-2-yl)amino]phenyl]-8-oxa-2-azaspiro[4.5]decane-2-carboxamide
SMILESCC(C)N(C)c1cccc(NC(=O)N2CCC3(CCOCC3)C2)c1
InChIInChI=1S/C19H29N3O2/c1-15(2)21(3)17-6-4-5-16(13-17)20-18(23)22-10-7-19(14-22)8-11-24-12-9-19/h4-6,13,15H,7-12,14H2,1-3H3,(H,20,23)
InChIKeyNOGBGFCQDHMLSV-UHFFFAOYSA-N
XLogP3.57
TPSA44.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.46
LogP ≤ 53.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-(aminomethyl)-N-[3-[methyl(propan-2-yl)amino]phenyl]oxane-4-carboxamide
CID 120941565
3-hydroxy-N-[3-[methyl(propan-2-yl)amino]phenyl]piperidine-1-carboxamide
CID 111111748
4-(1-hydroxyethyl)-N-[3-[methyl(propan-2-yl)amino]phenyl]piperidine-1-carboxamide
CID 111424931
N-[3-(trifluoromethoxy)phenyl]-9-oxa-2-azaspiro[5.5]undecane-2-carboxamide
CID 118771507
(5R)-N-[3-(4-methylpiperidin-1-yl)phenyl]-2-oxa-7-azaspiro[4.4]nonane-7-carboxamide
CID 99606652
N-[3-(dimethylamino)phenyl]azetidine-1-carboxamide
CID 69092727
1-amino-N-[3-[methyl(propan-2-yl)amino]phenyl]cyclopentane-1-carboxamide;dihydrochloride
CID 119883155
(3S)-3-(ethoxymethyl)-N-[3-[methyl(propan-2-yl)amino]phenyl]piperidine-1-carboxamide
CID 96546479
N-(2-ethyl-1,3-benzoxazol-5-yl)-8-oxa-2-azaspiro[4.5]decane-2-carboxamide
CID 71992151
(5S)-N-(3-methylphenyl)-9-(oxan-4-ylmethyl)-2,9-diazaspiro[4.5]decane-2-carboxamide
CID 97482486
2-N-(3-fluorophenyl)-4-N,4-N-dimethyl-8-oxa-2-azaspiro[4.5]decane-2,4-dicarboxamide
CID 91912643
N-[3-(morpholine-4-carbonylamino)phenyl]morpholine-4-carboxamide
CID 171576986

Frequently Asked Questions

What is the IUPAC name of N-[3-[methyl(propan-2-yl)amino]phenyl]-8-oxa-2-azaspiro[4.5]decane-2-carboxamide?
The IUPAC name of N-[3-[methyl(propan-2-yl)amino]phenyl]-8-oxa-2-azaspiro[4.5]decane-2-carboxamide (CID 71992230) is N-[3-[methyl(propan-2-yl)amino]phenyl]-8-oxa-2-azaspiro[4.5]decane-2-carboxamide.
What is the SMILES notation for N-[3-[methyl(propan-2-yl)amino]phenyl]-8-oxa-2-azaspiro[4.5]decane-2-carboxamide?
The canonical SMILES for N-[3-[methyl(propan-2-yl)amino]phenyl]-8-oxa-2-azaspiro[4.5]decane-2-carboxamide is CC(C)N(C)c1cccc(NC(=O)N2CCC3(CCOCC3)C2)c1.
What is the InChIKey of N-[3-[methyl(propan-2-yl)amino]phenyl]-8-oxa-2-azaspiro[4.5]decane-2-carboxamide?
The InChIKey is NOGBGFCQDHMLSV-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H29N3O2/c1-15(2)21(3)17-6-4-5-16(13-17)20-18(23)22-10-7-19(14-22)8-11-24-12-9-19/h4-6,13,15H,7-12,14H2,1-3H3,(H,20,23).
What are the key properties of N-[3-[methyl(propan-2-yl)amino]phenyl]-8-oxa-2-azaspiro[4.5]decane-2-carboxamide?
N-[3-[methyl(propan-2-yl)amino]phenyl]-8-oxa-2-azaspiro[4.5]decane-2-carboxamide has a molecular weight of 331.46 g/mol, XLogP of 3.57, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[methyl(propan-2-yl)amino]phenyl]-8-oxa-2-azaspiro[4.5]decane-2-carboxamide is sourced from PubChem (CID 71992230), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).