[1-(2-azaspiro[4.5]decan-2-yl)-1-oxo-3-phenylpropan-2-yl]urea

C19H27N3O2 — CID 136528201

IUPAC[1-(2-azaspiro[4.5]decan-2-yl)-1-oxo-3-phenylpropan-2-yl]urea
SMILESNC(=O)NC(Cc1ccccc1)C(=O)N1CCC2(CCCCC2)C1
InChIInChI=1S/C19H27N3O2/c20-18(24)21-16(13-15-7-3-1-4-8-15)17(23)22-12-11-19(14-22)9-5-2-6-10-19/h1,3-4,7-8,16H,2,5-6,9-14H2,(H3,20,21,24)
InChIKeyJTPOJTQDADTHDD-UHFFFAOYSA-N
MW329.44 g/mol
LogP2.45
Rot. Bonds4

About [1-(2-azaspiro[4.5]decan-2-yl)-1-oxo-3-phenylpropan-2-yl]urea

[1-(2-azaspiro[4.5]decan-2-yl)-1-oxo-3-phenylpropan-2-yl]urea (PubChem CID 136528201) has the molecular formula C19H27N3O2 and a molecular weight of 329.44 g/mol. Its IUPAC name is [1-(2-azaspiro[4.5]decan-2-yl)-1-oxo-3-phenylpropan-2-yl]urea.

Molecular Properties

Compound Name[1-(2-azaspiro[4.5]decan-2-yl)-1-oxo-3-phenylpropan-2-yl]urea
PubChem CID136528201
Molecular FormulaC19H27N3O2
Molecular Weight329.44 g/mol
Exact Mass329.21
IUPAC Name[1-(2-azaspiro[4.5]decan-2-yl)-1-oxo-3-phenylpropan-2-yl]urea
SMILESNC(=O)NC(Cc1ccccc1)C(=O)N1CCC2(CCCCC2)C1
InChIInChI=1S/C19H27N3O2/c20-18(24)21-16(13-15-7-3-1-4-8-15)17(23)22-12-11-19(14-22)9-5-2-6-10-19/h1,3-4,7-8,16H,2,5-6,9-14H2,(H3,20,21,24)
InChIKeyJTPOJTQDADTHDD-UHFFFAOYSA-N
XLogP2.45
TPSA75.43 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.44
LogP ≤ 52.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

[1-(3-azaspiro[5.5]undecan-3-yl)-1-oxo-3-phenylpropan-2-yl]urea
CID 134813321
methyl N-[1-(2,8-diazaspiro[4.5]decan-2-yl)-1-oxo-3-phenylpropan-2-yl]carbamate
CID 166197318
1-(8-azaspiro[4.5]decan-8-yl)-3-phenyl-2-sulfanylpropan-1-one
CID 107029334
N-[1-[3-(aminomethyl)-3-methylpyrrolidin-1-yl]-1-oxo-3-phenylpropan-2-yl]benzamide
CID 120810441
1-(2-benzamido-3-phenylpropanoyl)-3-methylpyrrolidine-3-carboxylic acid
CID 119256449
N-(1-oxo-3-phenyl-1-piperidin-1-ylpropan-2-yl)-2-phenylacetamide
CID 42696444
[(2S)-1-[(2S)-2-tert-butylmorpholin-4-yl]-1-oxo-3-phenylpropan-2-yl]urea
CID 129479851
2-amino-N-(1-oxo-3-phenyl-1-pyrrolidin-1-ylpropan-2-yl)acetamide
CID 119310977
ethyl N-[(2S)-1-[8-(2,5-dimethoxybenzoyl)-2,8-diazaspiro[4.5]decan-2-yl]-1-oxo-3-phenylpropan-2-yl]carbamate
CID 74227220
3-methyl-1-[3-phenyl-2-(thiophene-2-carbonylamino)propanoyl]pyrrolidine-3-carboxylic acid
CID 119256100
[(2R)-1-[4-(4-acetylphenyl)piperazin-1-yl]-1-oxo-3-phenylpropan-2-yl]urea
CID 30475476
methyl N-[(2S)-1-oxo-3-phenyl-1-piperidin-1-ylpropan-2-yl]carbamate
CID 110347389

Frequently Asked Questions

What is the IUPAC name of [1-(2-azaspiro[4.5]decan-2-yl)-1-oxo-3-phenylpropan-2-yl]urea?
The IUPAC name of [1-(2-azaspiro[4.5]decan-2-yl)-1-oxo-3-phenylpropan-2-yl]urea (CID 136528201) is [1-(2-azaspiro[4.5]decan-2-yl)-1-oxo-3-phenylpropan-2-yl]urea.
What is the SMILES notation for [1-(2-azaspiro[4.5]decan-2-yl)-1-oxo-3-phenylpropan-2-yl]urea?
The canonical SMILES for [1-(2-azaspiro[4.5]decan-2-yl)-1-oxo-3-phenylpropan-2-yl]urea is NC(=O)NC(Cc1ccccc1)C(=O)N1CCC2(CCCCC2)C1.
What is the InChIKey of [1-(2-azaspiro[4.5]decan-2-yl)-1-oxo-3-phenylpropan-2-yl]urea?
The InChIKey is JTPOJTQDADTHDD-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H27N3O2/c20-18(24)21-16(13-15-7-3-1-4-8-15)17(23)22-12-11-19(14-22)9-5-2-6-10-19/h1,3-4,7-8,16H,2,5-6,9-14H2,(H3,20,21,24).
What are the key properties of [1-(2-azaspiro[4.5]decan-2-yl)-1-oxo-3-phenylpropan-2-yl]urea?
[1-(2-azaspiro[4.5]decan-2-yl)-1-oxo-3-phenylpropan-2-yl]urea has a molecular weight of 329.44 g/mol, XLogP of 2.45, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(2-azaspiro[4.5]decan-2-yl)-1-oxo-3-phenylpropan-2-yl]urea is sourced from PubChem (CID 136528201), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).