N-[2-(dimethylamino)-3-phenylpropyl]-5-oxa-8-azaspiro[3.5]nonane-8-carboxamide

C19H29N3O2 — CID 86771103

IUPACN-[2-(dimethylamino)-3-phenylpropyl]-5-oxa-8-azaspiro[3.5]nonane-8-carboxamide
SMILESCN(C)C(CNC(=O)N1CCOC2(CCC2)C1)Cc1ccccc1
InChIInChI=1S/C19H29N3O2/c1-21(2)17(13-16-7-4-3-5-8-16)14-20-18(23)22-11-12-24-19(15-22)9-6-10-19/h3-5,7-8,17H,6,9-15H2,1-2H3,(H,20,23)
InChIKeyIMDVUOAWQBWDMZ-UHFFFAOYSA-N
MW331.46 g/mol
LogP2.12
Rot. Bonds5

About N-[2-(dimethylamino)-3-phenylpropyl]-5-oxa-8-azaspiro[3.5]nonane-8-carboxamide

N-[2-(dimethylamino)-3-phenylpropyl]-5-oxa-8-azaspiro[3.5]nonane-8-carboxamide (PubChem CID 86771103) has the molecular formula C19H29N3O2 and a molecular weight of 331.46 g/mol. Its IUPAC name is N-[2-(dimethylamino)-3-phenylpropyl]-5-oxa-8-azaspiro[3.5]nonane-8-carboxamide.

Molecular Properties

Compound NameN-[2-(dimethylamino)-3-phenylpropyl]-5-oxa-8-azaspiro[3.5]nonane-8-carboxamide
PubChem CID86771103
Molecular FormulaC19H29N3O2
Molecular Weight331.46 g/mol
Exact Mass331.23
IUPAC NameN-[2-(dimethylamino)-3-phenylpropyl]-5-oxa-8-azaspiro[3.5]nonane-8-carboxamide
SMILESCN(C)C(CNC(=O)N1CCOC2(CCC2)C1)Cc1ccccc1
InChIInChI=1S/C19H29N3O2/c1-21(2)17(13-16-7-4-3-5-8-16)14-20-18(23)22-11-12-24-19(15-22)9-6-10-19/h3-5,7-8,17H,6,9-15H2,1-2H3,(H,20,23)
InChIKeyIMDVUOAWQBWDMZ-UHFFFAOYSA-N
XLogP2.12
TPSA44.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.46
LogP ≤ 52.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

9-(1-cyclopropyl-2-phenylethyl)-N-methyl-1-oxa-4,9-diazaspiro[5.5]undecane-4-carboxamide
CID 118562468
N-[[4-[(S)-methylsulfinyl]phenyl]methyl]-6-oxa-9-azaspiro[4.5]decane-9-carboxamide
CID 97234226
N-[[4-[(R)-methylsulfinyl]phenyl]methyl]-6-oxa-9-azaspiro[4.5]decane-9-carboxamide
CID 97234225
1-[2-(dimethylamino)-3-phenylpropyl]-3-[(1-hydroxycyclopentyl)methyl]urea
CID 111103915
(5R)-N-(2-methylpropyl)-1-oxa-7-azaspiro[4.4]nonane-7-carboxamide
CID 97374304
(2S)-2-hydroxy-1-(9-imino-9-oxo-1-oxa-9λ6-thia-4-azaspiro[5.5]undecan-4-yl)-3-phenylpropan-1-one
CID 146114585
N-[(S)-cyclobutyl(phenyl)methyl]-5-oxa-8-azaspiro[3.5]nonane-8-carboxamide
CID 99619266
N-benzyl-2,2-dimethylmorpholine-4-carboxamide
CID 38286944
N-[(2S)-4-(4-hydroxyphenyl)butan-2-yl]-6-oxa-9-azaspiro[4.5]decane-9-carboxamide
CID 97231378
N-[(3-nitrophenyl)methyl]-6-oxa-9-azaspiro[4.5]decane-9-carboxamide
CID 71916006
N-[(2R)-2,3-dimethyl-4-phenylbutyl]-3,3-difluoropyrrolidine-1-carboxamide
CID 143013041
N-[2-[(2R)-1-cyanopropan-2-yl]sulfanylphenyl]-5-oxa-8-azaspiro[3.5]nonane-8-carboxamide
CID 124596231

Frequently Asked Questions

What is the IUPAC name of N-[2-(dimethylamino)-3-phenylpropyl]-5-oxa-8-azaspiro[3.5]nonane-8-carboxamide?
The IUPAC name of N-[2-(dimethylamino)-3-phenylpropyl]-5-oxa-8-azaspiro[3.5]nonane-8-carboxamide (CID 86771103) is N-[2-(dimethylamino)-3-phenylpropyl]-5-oxa-8-azaspiro[3.5]nonane-8-carboxamide.
What is the SMILES notation for N-[2-(dimethylamino)-3-phenylpropyl]-5-oxa-8-azaspiro[3.5]nonane-8-carboxamide?
The canonical SMILES for N-[2-(dimethylamino)-3-phenylpropyl]-5-oxa-8-azaspiro[3.5]nonane-8-carboxamide is CN(C)C(CNC(=O)N1CCOC2(CCC2)C1)Cc1ccccc1.
What is the InChIKey of N-[2-(dimethylamino)-3-phenylpropyl]-5-oxa-8-azaspiro[3.5]nonane-8-carboxamide?
The InChIKey is IMDVUOAWQBWDMZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H29N3O2/c1-21(2)17(13-16-7-4-3-5-8-16)14-20-18(23)22-11-12-24-19(15-22)9-6-10-19/h3-5,7-8,17H,6,9-15H2,1-2H3,(H,20,23).
What are the key properties of N-[2-(dimethylamino)-3-phenylpropyl]-5-oxa-8-azaspiro[3.5]nonane-8-carboxamide?
N-[2-(dimethylamino)-3-phenylpropyl]-5-oxa-8-azaspiro[3.5]nonane-8-carboxamide has a molecular weight of 331.46 g/mol, XLogP of 2.12, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(dimethylamino)-3-phenylpropyl]-5-oxa-8-azaspiro[3.5]nonane-8-carboxamide is sourced from PubChem (CID 86771103), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).