1-[2-(3,4-dimethylpyrrolidin-1-yl)ethyl]-1-(4-phenylmethoxyphenyl)urea

C22H29N3O2 — CID 70391991

IUPAC1-[2-(3,4-dimethylpyrrolidin-1-yl)ethyl]-1-(4-phenylmethoxyphenyl)urea
SMILESCC1CN(CCN(C(N)=O)c2ccc(OCc3ccccc3)cc2)CC1C
InChIInChI=1S/C22H29N3O2/c1-17-14-24(15-18(17)2)12-13-25(22(23)26)20-8-10-21(11-9-20)27-16-19-6-4-3-5-7-19/h3-11,17-18H,12-16H2,1-2H3,(H2,23,26)
InChIKeyVWPFOZXEJLFNDV-UHFFFAOYSA-N
MW367.49 g/mol
LogP3.74
Rot. Bonds7

About 1-[2-(3,4-dimethylpyrrolidin-1-yl)ethyl]-1-(4-phenylmethoxyphenyl)urea

1-[2-(3,4-dimethylpyrrolidin-1-yl)ethyl]-1-(4-phenylmethoxyphenyl)urea (PubChem CID 70391991) has the molecular formula C22H29N3O2 and a molecular weight of 367.49 g/mol. Its IUPAC name is 1-[2-(3,4-dimethylpyrrolidin-1-yl)ethyl]-1-(4-phenylmethoxyphenyl)urea.

Molecular Properties

Compound Name1-[2-(3,4-dimethylpyrrolidin-1-yl)ethyl]-1-(4-phenylmethoxyphenyl)urea
PubChem CID70391991
Molecular FormulaC22H29N3O2
Molecular Weight367.49 g/mol
Exact Mass367.23
IUPAC Name1-[2-(3,4-dimethylpyrrolidin-1-yl)ethyl]-1-(4-phenylmethoxyphenyl)urea
SMILESCC1CN(CCN(C(N)=O)c2ccc(OCc3ccccc3)cc2)CC1C
InChIInChI=1S/C22H29N3O2/c1-17-14-24(15-18(17)2)12-13-25(22(23)26)20-8-10-21(11-9-20)27-16-19-6-4-3-5-7-19/h3-11,17-18H,12-16H2,1-2H3,(H2,23,26)
InChIKeyVWPFOZXEJLFNDV-UHFFFAOYSA-N
XLogP3.74
TPSA58.80 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.49
LogP ≤ 53.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-ethyl-1-(4-phenylmethoxyphenyl)urea
CID 67835509
1-[2-[butyl(propan-2-yl)amino]ethyl]-1-(4-phenylmethoxyphenyl)urea
CID 70392099
1-[2-(3,4-dimethylpyrrolidin-1-yl)ethyl]-3-(4-phenylmethoxyphenyl)urea
CID 152756816
benzyl 1-benzyl-4-methylpyrrolidine-3-carboxylate
CID 86678243
cyclopropyl-(4-phenylmethoxyphenyl)carbamic acid
CID 67143911
(5S)-2-methyl-5-(4-phenylmethoxyphenyl)pyrrolidine-1-carboxamide
CID 91514351
N-methyl-3-[(4-methylpiperazin-1-yl)methyl]-N-(4-phenylmethoxyphenyl)aniline
CID 118954533
2-methyl-5-[4-[N-(2-methylpropyl)-4-phenylmethoxyanilino]piperidin-1-yl]-5-oxopentanamide
CID 18380702
2-[5-methyl-2-(4-phenylmethoxyphenyl)piperidin-1-yl]-2-oxoacetamide
CID 169115093
2-(N-acetyl-4-phenylmethoxyanilino)-N-cyclohexylacetamide
CID 113177523
3-[N-(methylamino)-4-phenylmethoxyanilino]propanoic acid
CID 66645002
2-N-[(2-methylpropan-2-yl)oxy]-1-(4-phenylmethoxyphenyl)cyclopropane-1,2-dicarboxamide
CID 20748521

Frequently Asked Questions

What is the IUPAC name of 1-[2-(3,4-dimethylpyrrolidin-1-yl)ethyl]-1-(4-phenylmethoxyphenyl)urea?
The IUPAC name of 1-[2-(3,4-dimethylpyrrolidin-1-yl)ethyl]-1-(4-phenylmethoxyphenyl)urea (CID 70391991) is 1-[2-(3,4-dimethylpyrrolidin-1-yl)ethyl]-1-(4-phenylmethoxyphenyl)urea.
What is the SMILES notation for 1-[2-(3,4-dimethylpyrrolidin-1-yl)ethyl]-1-(4-phenylmethoxyphenyl)urea?
The canonical SMILES for 1-[2-(3,4-dimethylpyrrolidin-1-yl)ethyl]-1-(4-phenylmethoxyphenyl)urea is CC1CN(CCN(C(N)=O)c2ccc(OCc3ccccc3)cc2)CC1C.
What is the InChIKey of 1-[2-(3,4-dimethylpyrrolidin-1-yl)ethyl]-1-(4-phenylmethoxyphenyl)urea?
The InChIKey is VWPFOZXEJLFNDV-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H29N3O2/c1-17-14-24(15-18(17)2)12-13-25(22(23)26)20-8-10-21(11-9-20)27-16-19-6-4-3-5-7-19/h3-11,17-18H,12-16H2,1-2H3,(H2,23,26).
What are the key properties of 1-[2-(3,4-dimethylpyrrolidin-1-yl)ethyl]-1-(4-phenylmethoxyphenyl)urea?
1-[2-(3,4-dimethylpyrrolidin-1-yl)ethyl]-1-(4-phenylmethoxyphenyl)urea has a molecular weight of 367.49 g/mol, XLogP of 3.74, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(3,4-dimethylpyrrolidin-1-yl)ethyl]-1-(4-phenylmethoxyphenyl)urea is sourced from PubChem (CID 70391991), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).