[1-(3-azaspiro[5.5]undecan-3-yl)-1-oxo-3-phenylpropan-2-yl]urea

C20H29N3O2 — CID 134813321

IUPAC[1-(3-azaspiro[5.5]undecan-3-yl)-1-oxo-3-phenylpropan-2-yl]urea
SMILESNC(=O)NC(Cc1ccccc1)C(=O)N1CCC2(CCCCC2)CC1
InChIInChI=1S/C20H29N3O2/c21-19(25)22-17(15-16-7-3-1-4-8-16)18(24)23-13-11-20(12-14-23)9-5-2-6-10-20/h1,3-4,7-8,17H,2,5-6,9-15H2,(H3,21,22,25)
InChIKeyZVVAWTJFRRTSBX-UHFFFAOYSA-N
MW343.47 g/mol
LogP2.84
Rot. Bonds4

About [1-(3-azaspiro[5.5]undecan-3-yl)-1-oxo-3-phenylpropan-2-yl]urea

[1-(3-azaspiro[5.5]undecan-3-yl)-1-oxo-3-phenylpropan-2-yl]urea (PubChem CID 134813321) has the molecular formula C20H29N3O2 and a molecular weight of 343.47 g/mol. Its IUPAC name is [1-(3-azaspiro[5.5]undecan-3-yl)-1-oxo-3-phenylpropan-2-yl]urea.

Molecular Properties

Compound Name[1-(3-azaspiro[5.5]undecan-3-yl)-1-oxo-3-phenylpropan-2-yl]urea
PubChem CID134813321
Molecular FormulaC20H29N3O2
Molecular Weight343.47 g/mol
Exact Mass343.23
IUPAC Name[1-(3-azaspiro[5.5]undecan-3-yl)-1-oxo-3-phenylpropan-2-yl]urea
SMILESNC(=O)NC(Cc1ccccc1)C(=O)N1CCC2(CCCCC2)CC1
InChIInChI=1S/C20H29N3O2/c21-19(25)22-17(15-16-7-3-1-4-8-16)18(24)23-13-11-20(12-14-23)9-5-2-6-10-20/h1,3-4,7-8,17H,2,5-6,9-15H2,(H3,21,22,25)
InChIKeyZVVAWTJFRRTSBX-UHFFFAOYSA-N
XLogP2.84
TPSA75.43 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.47
LogP ≤ 52.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

[1-(2-azaspiro[4.5]decan-2-yl)-1-oxo-3-phenylpropan-2-yl]urea
CID 136528201
1-(8-azaspiro[4.5]decan-8-yl)-3-phenyl-2-sulfanylpropan-1-one
CID 107029334
N-(1-oxo-3-phenyl-1-piperidin-1-ylpropan-2-yl)-2-phenylacetamide
CID 42696444
2-amino-N-(1-oxo-3-phenyl-1-pyrrolidin-1-ylpropan-2-yl)acetamide
CID 119310977
[(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
N-[(2S)-1-oxo-3-phenyl-1-piperidin-1-ylpropan-2-yl]-3-phenylpropanamide
CID 110347374
N-[(2S)-1-oxo-3-phenyl-1-piperidin-1-ylpropan-2-yl]cyclohexanecarboxamide
CID 110347354
N-[(2S)-1-oxo-3-phenyl-1-piperidin-1-ylpropan-2-yl]butanamide
CID 110347349
N-[1-[3-(aminomethyl)-3-methylpyrrolidin-1-yl]-1-oxo-3-phenylpropan-2-yl]benzamide
CID 120810441
2-amino-1-(3-azaspiro[5.5]undecan-3-yl)-2-phenylethanone;hydrochloride
CID 119315120
1-(2-benzamido-3-phenylpropanoyl)-3-methylpyrrolidine-3-carboxylic acid
CID 119256449

Frequently Asked Questions

What is the IUPAC name of [1-(3-azaspiro[5.5]undecan-3-yl)-1-oxo-3-phenylpropan-2-yl]urea?
The IUPAC name of [1-(3-azaspiro[5.5]undecan-3-yl)-1-oxo-3-phenylpropan-2-yl]urea (CID 134813321) is [1-(3-azaspiro[5.5]undecan-3-yl)-1-oxo-3-phenylpropan-2-yl]urea.
What is the SMILES notation for [1-(3-azaspiro[5.5]undecan-3-yl)-1-oxo-3-phenylpropan-2-yl]urea?
The canonical SMILES for [1-(3-azaspiro[5.5]undecan-3-yl)-1-oxo-3-phenylpropan-2-yl]urea is NC(=O)NC(Cc1ccccc1)C(=O)N1CCC2(CCCCC2)CC1.
What is the InChIKey of [1-(3-azaspiro[5.5]undecan-3-yl)-1-oxo-3-phenylpropan-2-yl]urea?
The InChIKey is ZVVAWTJFRRTSBX-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H29N3O2/c21-19(25)22-17(15-16-7-3-1-4-8-16)18(24)23-13-11-20(12-14-23)9-5-2-6-10-20/h1,3-4,7-8,17H,2,5-6,9-15H2,(H3,21,22,25).
What are the key properties of [1-(3-azaspiro[5.5]undecan-3-yl)-1-oxo-3-phenylpropan-2-yl]urea?
[1-(3-azaspiro[5.5]undecan-3-yl)-1-oxo-3-phenylpropan-2-yl]urea has a molecular weight of 343.47 g/mol, XLogP of 2.84, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(3-azaspiro[5.5]undecan-3-yl)-1-oxo-3-phenylpropan-2-yl]urea is sourced from PubChem (CID 134813321), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).