1-(2-methyl-2-phenylpropyl)-3-[3-(pyrrolidine-1-carbonyl)phenyl]urea

C22H27N3O2 — CID 86988430

IUPAC1-(2-methyl-2-phenylpropyl)-3-[3-(pyrrolidine-1-carbonyl)phenyl]urea
SMILESCC(C)(CNC(=O)Nc1cccc(C(=O)N2CCCC2)c1)c1ccccc1
InChIInChI=1S/C22H27N3O2/c1-22(2,18-10-4-3-5-11-18)16-23-21(27)24-19-12-8-9-17(15-19)20(26)25-13-6-7-14-25/h3-5,8-12,15H,6-7,13-14,16H2,1-2H3,(H2,23,24,27)
InChIKeyZITIIDUOGVXCHT-UHFFFAOYSA-N
MW365.48 g/mol
LogP4.02
Rot. Bonds5

About 1-(2-methyl-2-phenylpropyl)-3-[3-(pyrrolidine-1-carbonyl)phenyl]urea

1-(2-methyl-2-phenylpropyl)-3-[3-(pyrrolidine-1-carbonyl)phenyl]urea (PubChem CID 86988430) has the molecular formula C22H27N3O2 and a molecular weight of 365.48 g/mol. Its IUPAC name is 1-(2-methyl-2-phenylpropyl)-3-[3-(pyrrolidine-1-carbonyl)phenyl]urea.

Molecular Properties

Compound Name1-(2-methyl-2-phenylpropyl)-3-[3-(pyrrolidine-1-carbonyl)phenyl]urea
PubChem CID86988430
Molecular FormulaC22H27N3O2
Molecular Weight365.48 g/mol
Exact Mass365.21
IUPAC Name1-(2-methyl-2-phenylpropyl)-3-[3-(pyrrolidine-1-carbonyl)phenyl]urea
SMILESCC(C)(CNC(=O)Nc1cccc(C(=O)N2CCCC2)c1)c1ccccc1
InChIInChI=1S/C22H27N3O2/c1-22(2,18-10-4-3-5-11-18)16-23-21(27)24-19-12-8-9-17(15-19)20(26)25-13-6-7-14-25/h3-5,8-12,15H,6-7,13-14,16H2,1-2H3,(H2,23,24,27)
InChIKeyZITIIDUOGVXCHT-UHFFFAOYSA-N
XLogP4.02
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.48
LogP ≤ 54.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

1-(3-bromophenyl)-3-(2-methyl-2-phenylpropyl)urea
CID 113213313
1-[2-(4-tert-butylphenyl)ethyl]-3-[3-(pyrrolidine-1-carbonyl)phenyl]urea
CID 110304367
3-[[3-(piperidine-1-carbonyl)phenyl]carbamoylamino]propanoic acid
CID 122077035
tert-butyl N-[3-(pyrrolidine-1-carbonyl)phenyl]carbamate
CID 24540087
2-(methylamino)-N-[3-(piperidine-1-carbonyl)phenyl]acetamide;hydrochloride
CID 119740126
1-(4-tert-butylphenyl)-3-(2-methyl-2-phenylpropyl)urea
CID 113213276
[3-(methylamino)phenyl]-pyrrolidin-1-ylmethanone
CID 70790157
N-[3-[[2-[3-(pyrrolidine-1-carbonyl)anilino]acetyl]amino]phenyl]benzamide
CID 54841067
1-benzoyl-N-(3-tert-butylphenyl)piperidine-3-carboxamide
CID 121381993
5-oxo-5-phenyl-N-[3-(pyrrolidine-1-carbonyl)phenyl]pentanamide
CID 110353707
1-[3-[4-[2-(azepan-1-yl)-2-oxoethyl]piperazine-1-carbonyl]phenyl]-3-propan-2-ylurea
CID 55649667
N-(3-acetamidophenyl)-2-[3-(azepane-1-carbonyl)anilino]acetamide
CID 54841554

Frequently Asked Questions

What is the IUPAC name of 1-(2-methyl-2-phenylpropyl)-3-[3-(pyrrolidine-1-carbonyl)phenyl]urea?
The IUPAC name of 1-(2-methyl-2-phenylpropyl)-3-[3-(pyrrolidine-1-carbonyl)phenyl]urea (CID 86988430) is 1-(2-methyl-2-phenylpropyl)-3-[3-(pyrrolidine-1-carbonyl)phenyl]urea.
What is the SMILES notation for 1-(2-methyl-2-phenylpropyl)-3-[3-(pyrrolidine-1-carbonyl)phenyl]urea?
The canonical SMILES for 1-(2-methyl-2-phenylpropyl)-3-[3-(pyrrolidine-1-carbonyl)phenyl]urea is CC(C)(CNC(=O)Nc1cccc(C(=O)N2CCCC2)c1)c1ccccc1.
What is the InChIKey of 1-(2-methyl-2-phenylpropyl)-3-[3-(pyrrolidine-1-carbonyl)phenyl]urea?
The InChIKey is ZITIIDUOGVXCHT-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H27N3O2/c1-22(2,18-10-4-3-5-11-18)16-23-21(27)24-19-12-8-9-17(15-19)20(26)25-13-6-7-14-25/h3-5,8-12,15H,6-7,13-14,16H2,1-2H3,(H2,23,24,27).
What are the key properties of 1-(2-methyl-2-phenylpropyl)-3-[3-(pyrrolidine-1-carbonyl)phenyl]urea?
1-(2-methyl-2-phenylpropyl)-3-[3-(pyrrolidine-1-carbonyl)phenyl]urea has a molecular weight of 365.48 g/mol, XLogP of 4.02, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-methyl-2-phenylpropyl)-3-[3-(pyrrolidine-1-carbonyl)phenyl]urea is sourced from PubChem (CID 86988430), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).