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

C22H29N3O2 — CID 152756816

IUPAC1-[2-(3,4-dimethylpyrrolidin-1-yl)ethyl]-3-(4-phenylmethoxyphenyl)urea
SMILESCC1CN(CCNC(=O)Nc2ccc(OCc3ccccc3)cc2)CC1C
InChIInChI=1S/C22H29N3O2/c1-17-14-25(15-18(17)2)13-12-23-22(26)24-20-8-10-21(11-9-20)27-16-19-6-4-3-5-7-19/h3-11,17-18H,12-16H2,1-2H3,(H2,23,24,26)
InChIKeyQCUUCPZDKJCJMV-UHFFFAOYSA-N
MW367.49 g/mol
LogP3.97
Rot. Bonds7

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

1-[2-(3,4-dimethylpyrrolidin-1-yl)ethyl]-3-(4-phenylmethoxyphenyl)urea (PubChem CID 152756816) 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]-3-(4-phenylmethoxyphenyl)urea.

Molecular Properties

Compound Name1-[2-(3,4-dimethylpyrrolidin-1-yl)ethyl]-3-(4-phenylmethoxyphenyl)urea
PubChem CID152756816
Molecular FormulaC22H29N3O2
Molecular Weight367.49 g/mol
Exact Mass367.23
IUPAC Name1-[2-(3,4-dimethylpyrrolidin-1-yl)ethyl]-3-(4-phenylmethoxyphenyl)urea
SMILESCC1CN(CCNC(=O)Nc2ccc(OCc3ccccc3)cc2)CC1C
InChIInChI=1S/C22H29N3O2/c1-17-14-25(15-18(17)2)13-12-23-22(26)24-20-8-10-21(11-9-20)27-16-19-6-4-3-5-7-19/h3-11,17-18H,12-16H2,1-2H3,(H2,23,24,26)
InChIKeyQCUUCPZDKJCJMV-UHFFFAOYSA-N
XLogP3.97
TPSA53.60 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.49
LogP ≤ 53.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-(2-phenoxyethyl)-3-(4-phenylmethoxyphenyl)urea
CID 112969756
1-[2-(2-oxoimidazolidin-1-yl)ethyl]-3-(4-phenylmethoxyphenyl)urea
CID 2810884
1-(3-hydroxypropyl)-3-[4-[[4-[(4-phenylmethoxyphenyl)methyl]-1,4-diazepan-1-yl]methyl]phenyl]urea
CID 23642222
1-[2-(3,4-dimethylpyrrolidin-1-yl)ethyl]-1-(4-phenylmethoxyphenyl)urea
CID 70391991
1-(4-phenylmethoxyphenyl)-3-propan-2-ylurea
CID 110755142
3-(cyclohexylcarbamoylamino)-N-(4-phenylmethoxyphenyl)propanamide
CID 46597632
3-(4-methylpiperazin-1-yl)-N-(4-phenylmethoxyphenyl)propanamide
CID 574794
1-methylsulfonyl-N-(4-phenylmethoxyphenyl)piperidine-4-carboxamide
CID 1082619
1-(4-nitrophenyl)-3-(4-phenylmethoxyphenyl)urea
CID 2956271
4-N-(4-phenylmethoxyphenyl)-1-N-propylcyclohexane-1,4-dicarboxamide
CID 109144415
1-(2,5-dimethylpyrazol-3-yl)-3-(4-phenylmethoxyphenyl)urea
CID 2811727
1-(1-phenylcyclopropyl)-3-(4-phenylmethoxyphenyl)urea
CID 113215142

Frequently Asked Questions

What is the IUPAC name of 1-[2-(3,4-dimethylpyrrolidin-1-yl)ethyl]-3-(4-phenylmethoxyphenyl)urea?
The IUPAC name of 1-[2-(3,4-dimethylpyrrolidin-1-yl)ethyl]-3-(4-phenylmethoxyphenyl)urea (CID 152756816) is 1-[2-(3,4-dimethylpyrrolidin-1-yl)ethyl]-3-(4-phenylmethoxyphenyl)urea.
What is the SMILES notation for 1-[2-(3,4-dimethylpyrrolidin-1-yl)ethyl]-3-(4-phenylmethoxyphenyl)urea?
The canonical SMILES for 1-[2-(3,4-dimethylpyrrolidin-1-yl)ethyl]-3-(4-phenylmethoxyphenyl)urea is CC1CN(CCNC(=O)Nc2ccc(OCc3ccccc3)cc2)CC1C.
What is the InChIKey of 1-[2-(3,4-dimethylpyrrolidin-1-yl)ethyl]-3-(4-phenylmethoxyphenyl)urea?
The InChIKey is QCUUCPZDKJCJMV-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H29N3O2/c1-17-14-25(15-18(17)2)13-12-23-22(26)24-20-8-10-21(11-9-20)27-16-19-6-4-3-5-7-19/h3-11,17-18H,12-16H2,1-2H3,(H2,23,24,26).
What are the key properties of 1-[2-(3,4-dimethylpyrrolidin-1-yl)ethyl]-3-(4-phenylmethoxyphenyl)urea?
1-[2-(3,4-dimethylpyrrolidin-1-yl)ethyl]-3-(4-phenylmethoxyphenyl)urea has a molecular weight of 367.49 g/mol, XLogP of 3.97, 7 rotatable bonds, 2 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]-3-(4-phenylmethoxyphenyl)urea is sourced from PubChem (CID 152756816), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).