1-methyl-1-(3-methylcyclohexyl)-3-(2-phenyl-2-pyrrolidin-1-ylethyl)urea

C21H33N3O — CID 112831555

IUPAC1-methyl-1-(3-methylcyclohexyl)-3-(2-phenyl-2-pyrrolidin-1-ylethyl)urea
SMILESCC1CCCC(N(C)C(=O)NCC(c2ccccc2)N2CCCC2)C1
InChIInChI=1S/C21H33N3O/c1-17-9-8-12-19(15-17)23(2)21(25)22-16-20(24-13-6-7-14-24)18-10-4-3-5-11-18/h3-5,10-11,17,19-20H,6-9,12-16H2,1-2H3,(H,22,25)
InChIKeyUEUSRJNRINNHMZ-UHFFFAOYSA-N
MW343.51 g/mol
LogP4.04
Rot. Bonds5

About 1-methyl-1-(3-methylcyclohexyl)-3-(2-phenyl-2-pyrrolidin-1-ylethyl)urea

1-methyl-1-(3-methylcyclohexyl)-3-(2-phenyl-2-pyrrolidin-1-ylethyl)urea (PubChem CID 112831555) has the molecular formula C21H33N3O and a molecular weight of 343.51 g/mol. Its IUPAC name is 1-methyl-1-(3-methylcyclohexyl)-3-(2-phenyl-2-pyrrolidin-1-ylethyl)urea.

Molecular Properties

Compound Name1-methyl-1-(3-methylcyclohexyl)-3-(2-phenyl-2-pyrrolidin-1-ylethyl)urea
PubChem CID112831555
Molecular FormulaC21H33N3O
Molecular Weight343.51 g/mol
Exact Mass343.26
IUPAC Name1-methyl-1-(3-methylcyclohexyl)-3-(2-phenyl-2-pyrrolidin-1-ylethyl)urea
SMILESCC1CCCC(N(C)C(=O)NCC(c2ccccc2)N2CCCC2)C1
InChIInChI=1S/C21H33N3O/c1-17-9-8-12-19(15-17)23(2)21(25)22-16-20(24-13-6-7-14-24)18-10-4-3-5-11-18/h3-5,10-11,17,19-20H,6-9,12-16H2,1-2H3,(H,22,25)
InChIKeyUEUSRJNRINNHMZ-UHFFFAOYSA-N
XLogP4.04
TPSA35.58 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.51
LogP ≤ 54.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-cyclobutyl-1-methyl-3-[(2R)-2-phenyl-2-pyrrolidin-1-ylethyl]urea
CID 95907758
1-methyl-1-(3-methylcyclohexyl)-3-[2-(4-phenylpiperazin-1-yl)propyl]urea
CID 112837748
2-[2-[cyclohexyl(methyl)amino]-2-oxoethyl]sulfanyl-N-(2-phenyl-2-pyrrolidin-1-ylethyl)benzamide
CID 112765032
1-methyl-3-[2-(N-methylanilino)ethyl]-1-(3-methylcyclohexyl)urea
CID 112834837
2-(dimethylamino)-2-phenyl-N-(2-phenyl-2-pyrrolidin-1-ylethyl)acetamide
CID 47839657
1-cyclobutyl-3-(4-hydroxy-2-phenylbutyl)-1-methylurea
CID 111506748
1-methyl-1-[(2-methyl-1,3-thiazol-4-yl)methyl]-3-(2-phenyl-2-pyrrolidin-1-ylethyl)urea
CID 86856304
2,2-difluoro-N-(2-phenyl-2-pyrrolidin-1-ylethyl)acetamide
CID 103514779
2-(hydroxymethyl)-N-(2-phenyl-2-pyrrolidin-1-ylethyl)pyrrolidine-1-carboxamide
CID 111427676
1-cyclohexyl-3-(4-hydroxy-2-phenylbutyl)-1-methylurea
CID 111455932
1-(cyclobutylmethyl)-3-[2-(3-hydroxyphenyl)-2-pyrrolidin-1-ylethyl]-1-methylurea
CID 75423415
N-(2-phenyl-2-pyrrolidin-1-ylethyl)-2-(propan-2-ylamino)acetamide
CID 61249970

Frequently Asked Questions

What is the IUPAC name of 1-methyl-1-(3-methylcyclohexyl)-3-(2-phenyl-2-pyrrolidin-1-ylethyl)urea?
The IUPAC name of 1-methyl-1-(3-methylcyclohexyl)-3-(2-phenyl-2-pyrrolidin-1-ylethyl)urea (CID 112831555) is 1-methyl-1-(3-methylcyclohexyl)-3-(2-phenyl-2-pyrrolidin-1-ylethyl)urea.
What is the SMILES notation for 1-methyl-1-(3-methylcyclohexyl)-3-(2-phenyl-2-pyrrolidin-1-ylethyl)urea?
The canonical SMILES for 1-methyl-1-(3-methylcyclohexyl)-3-(2-phenyl-2-pyrrolidin-1-ylethyl)urea is CC1CCCC(N(C)C(=O)NCC(c2ccccc2)N2CCCC2)C1.
What is the InChIKey of 1-methyl-1-(3-methylcyclohexyl)-3-(2-phenyl-2-pyrrolidin-1-ylethyl)urea?
The InChIKey is UEUSRJNRINNHMZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H33N3O/c1-17-9-8-12-19(15-17)23(2)21(25)22-16-20(24-13-6-7-14-24)18-10-4-3-5-11-18/h3-5,10-11,17,19-20H,6-9,12-16H2,1-2H3,(H,22,25).
What are the key properties of 1-methyl-1-(3-methylcyclohexyl)-3-(2-phenyl-2-pyrrolidin-1-ylethyl)urea?
1-methyl-1-(3-methylcyclohexyl)-3-(2-phenyl-2-pyrrolidin-1-ylethyl)urea has a molecular weight of 343.51 g/mol, XLogP of 4.04, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-1-(3-methylcyclohexyl)-3-(2-phenyl-2-pyrrolidin-1-ylethyl)urea is sourced from PubChem (CID 112831555), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).