1-(2-cyano-1-oxo-1,3-diphenylpropan-2-yl)-1-methyl-3,3-di(propan-2-yl)urea

C24H29N3O2 — CID 102450183

IUPAC1-(2-cyano-1-oxo-1,3-diphenylpropan-2-yl)-1-methyl-3,3-di(propan-2-yl)urea
SMILESCC(C)N(C(=O)N(C)C(C#N)(Cc1ccccc1)C(=O)c1ccccc1)C(C)C
InChIInChI=1S/C24H29N3O2/c1-18(2)27(19(3)4)23(29)26(5)24(17-25,16-20-12-8-6-9-13-20)22(28)21-14-10-7-11-15-21/h6-15,18-19H,16H2,1-5H3
InChIKeyPOOLMIMORCZHPG-UHFFFAOYSA-N
MW391.52 g/mol
LogP4.54
Rot. Bonds7

About 1-(2-cyano-1-oxo-1,3-diphenylpropan-2-yl)-1-methyl-3,3-di(propan-2-yl)urea

1-(2-cyano-1-oxo-1,3-diphenylpropan-2-yl)-1-methyl-3,3-di(propan-2-yl)urea (PubChem CID 102450183) has the molecular formula C24H29N3O2 and a molecular weight of 391.52 g/mol. Its IUPAC name is 1-(2-cyano-1-oxo-1,3-diphenylpropan-2-yl)-1-methyl-3,3-di(propan-2-yl)urea.

Molecular Properties

Compound Name1-(2-cyano-1-oxo-1,3-diphenylpropan-2-yl)-1-methyl-3,3-di(propan-2-yl)urea
PubChem CID102450183
Molecular FormulaC24H29N3O2
Molecular Weight391.52 g/mol
Exact Mass391.23
IUPAC Name1-(2-cyano-1-oxo-1,3-diphenylpropan-2-yl)-1-methyl-3,3-di(propan-2-yl)urea
SMILESCC(C)N(C(=O)N(C)C(C#N)(Cc1ccccc1)C(=O)c1ccccc1)C(C)C
InChIInChI=1S/C24H29N3O2/c1-18(2)27(19(3)4)23(29)26(5)24(17-25,16-20-12-8-6-9-13-20)22(28)21-14-10-7-11-15-21/h6-15,18-19H,16H2,1-5H3
InChIKeyPOOLMIMORCZHPG-UHFFFAOYSA-N
XLogP4.54
TPSA64.41 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.52
LogP ≤ 54.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 1-(2-cyano-1-oxo-1,3-diphenylpropan-2-yl)-1-methyl-3,3-di(propan-2-yl)urea with MolForge

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Related Compounds

ethyl N-(2-cyano-1-oxo-1,3-diphenylpropan-2-yl)-N-(ethoxycarbonylamino)carbamate
CID 134941137
2-benzyl-2-(dimethylamino)-1,3-diphenylpropan-1-one
CID 19049414
2,2-dimethyl-1,3-diphenylpropan-1-one
CID 12892486
acetonitrile;benzoic acid;ethane
CID 143448416
2-cyano-2-methoxy-3-phenylpropanoic acid
CID 149477841
2-(2-benzyl-2-hydroxy-3-phenylpropoxy)-1-phenylpropan-1-one
CID 15163839
4-(2-cyano-2-methylpropyl)benzoic acid
CID 82111028
N-benzyl-2-cyano-N-propan-2-ylacetamide
CID 24702925
acetonitrile;1-phenylethanone
CID 67822280
2-(2-methylpropoxy)-1,2,3-triphenylpropan-1-one
CID 67441475
3-(dimethylamino)-2-hydroxy-2-methyl-1-phenylpropan-1-one
CID 20547331
3-(4-benzoylphenyl)-2-(dimethylamino)-2-methyl-1-phenylpropan-1-one
CID 19049443

Frequently Asked Questions

What is the IUPAC name of 1-(2-cyano-1-oxo-1,3-diphenylpropan-2-yl)-1-methyl-3,3-di(propan-2-yl)urea?
The IUPAC name of 1-(2-cyano-1-oxo-1,3-diphenylpropan-2-yl)-1-methyl-3,3-di(propan-2-yl)urea (CID 102450183) is 1-(2-cyano-1-oxo-1,3-diphenylpropan-2-yl)-1-methyl-3,3-di(propan-2-yl)urea.
What is the SMILES notation for 1-(2-cyano-1-oxo-1,3-diphenylpropan-2-yl)-1-methyl-3,3-di(propan-2-yl)urea?
The canonical SMILES for 1-(2-cyano-1-oxo-1,3-diphenylpropan-2-yl)-1-methyl-3,3-di(propan-2-yl)urea is CC(C)N(C(=O)N(C)C(C#N)(Cc1ccccc1)C(=O)c1ccccc1)C(C)C.
What is the InChIKey of 1-(2-cyano-1-oxo-1,3-diphenylpropan-2-yl)-1-methyl-3,3-di(propan-2-yl)urea?
The InChIKey is POOLMIMORCZHPG-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H29N3O2/c1-18(2)27(19(3)4)23(29)26(5)24(17-25,16-20-12-8-6-9-13-20)22(28)21-14-10-7-11-15-21/h6-15,18-19H,16H2,1-5H3.
What are the key properties of 1-(2-cyano-1-oxo-1,3-diphenylpropan-2-yl)-1-methyl-3,3-di(propan-2-yl)urea?
1-(2-cyano-1-oxo-1,3-diphenylpropan-2-yl)-1-methyl-3,3-di(propan-2-yl)urea has a molecular weight of 391.52 g/mol, XLogP of 4.54, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-cyano-1-oxo-1,3-diphenylpropan-2-yl)-1-methyl-3,3-di(propan-2-yl)urea is sourced from PubChem (CID 102450183), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).