1-[[3-(dimethylamino)phenyl]methyl]-3-(2-phenyl-2-pyrrolidin-1-ylethyl)urea

C22H30N4O — CID 60607590

IUPAC1-[[3-(dimethylamino)phenyl]methyl]-3-(2-phenyl-2-pyrrolidin-1-ylethyl)urea
SMILESCN(C)c1cccc(CNC(=O)NCC(c2ccccc2)N2CCCC2)c1
InChIInChI=1S/C22H30N4O/c1-25(2)20-12-8-9-18(15-20)16-23-22(27)24-17-21(26-13-6-7-14-26)19-10-4-3-5-11-19/h3-5,8-12,15,21H,6-7,13-14,16-17H2,1-2H3,(H2,23,24,27)
InChIKeyJZPOWFVFURRCHD-UHFFFAOYSA-N
MW366.51 g/mol
LogP3.39
Rot. Bonds7

About 1-[[3-(dimethylamino)phenyl]methyl]-3-(2-phenyl-2-pyrrolidin-1-ylethyl)urea

1-[[3-(dimethylamino)phenyl]methyl]-3-(2-phenyl-2-pyrrolidin-1-ylethyl)urea (PubChem CID 60607590) has the molecular formula C22H30N4O and a molecular weight of 366.51 g/mol. Its IUPAC name is 1-[[3-(dimethylamino)phenyl]methyl]-3-(2-phenyl-2-pyrrolidin-1-ylethyl)urea.

Molecular Properties

Compound Name1-[[3-(dimethylamino)phenyl]methyl]-3-(2-phenyl-2-pyrrolidin-1-ylethyl)urea
PubChem CID60607590
Molecular FormulaC22H30N4O
Molecular Weight366.51 g/mol
Exact Mass366.24
IUPAC Name1-[[3-(dimethylamino)phenyl]methyl]-3-(2-phenyl-2-pyrrolidin-1-ylethyl)urea
SMILESCN(C)c1cccc(CNC(=O)NCC(c2ccccc2)N2CCCC2)c1
InChIInChI=1S/C22H30N4O/c1-25(2)20-12-8-9-18(15-20)16-23-22(27)24-17-21(26-13-6-7-14-26)19-10-4-3-5-11-19/h3-5,8-12,15,21H,6-7,13-14,16-17H2,1-2H3,(H2,23,24,27)
InChIKeyJZPOWFVFURRCHD-UHFFFAOYSA-N
XLogP3.39
TPSA47.61 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.51
LogP ≤ 53.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-[(4-methylphenyl)methyl]-3-(2-phenyl-2-pyrrolidin-1-ylethyl)urea
CID 46555638
1-[(3-fluoro-4-methylphenyl)methyl]-3-(2-phenyl-2-pyrrolidin-1-ylethyl)urea
CID 43063545
N'-[(2R)-2-[4-(dimethylamino)phenyl]-2-pyrrolidin-1-ylethyl]-N-[(3-methoxyphenyl)methyl]oxamide
CID 7639545
1-[2-(1,3-benzodioxol-5-yl)-2-pyrrolidin-1-ylethyl]-3-benzylurea
CID 110354126
1-benzyl-3-[2-(4-ethoxyphenyl)-2-piperidin-1-ylethyl]urea
CID 110353410
N'-[2-[4-(dimethylamino)phenyl]-2-pyrrolidin-1-ylethyl]-N-(2-phenylethyl)oxamide
CID 18583589
1-[[3-(dimethylamino)phenyl]methyl]-3-(3-oxo-3-pyrrolidin-1-ylpropyl)urea
CID 60607645
1-[[3-(dimethylamino)phenyl]methyl]-3-[2-hydroxy-3-(4-methylpiperidin-1-yl)propyl]urea
CID 111111413
N'-[(2R)-2-[4-(dimethylamino)phenyl]-2-pyrrolidin-1-ylethyl]-N-(3-phenylpropyl)oxamide
CID 7639481
1-[[3-(dimethylamino)phenyl]methyl]-3-phenylurea
CID 110472246
1-[(1-hydroxycyclobutyl)methyl]-3-[(2R)-2-phenyl-2-pyrrolidin-1-ylethyl]urea
CID 97215316
N-benzyl-N'-[2-[4-(dimethylamino)phenyl]-2-(4-phenylpiperazin-1-yl)ethyl]oxamide
CID 43996755

Frequently Asked Questions

What is the IUPAC name of 1-[[3-(dimethylamino)phenyl]methyl]-3-(2-phenyl-2-pyrrolidin-1-ylethyl)urea?
The IUPAC name of 1-[[3-(dimethylamino)phenyl]methyl]-3-(2-phenyl-2-pyrrolidin-1-ylethyl)urea (CID 60607590) is 1-[[3-(dimethylamino)phenyl]methyl]-3-(2-phenyl-2-pyrrolidin-1-ylethyl)urea.
What is the SMILES notation for 1-[[3-(dimethylamino)phenyl]methyl]-3-(2-phenyl-2-pyrrolidin-1-ylethyl)urea?
The canonical SMILES for 1-[[3-(dimethylamino)phenyl]methyl]-3-(2-phenyl-2-pyrrolidin-1-ylethyl)urea is CN(C)c1cccc(CNC(=O)NCC(c2ccccc2)N2CCCC2)c1.
What is the InChIKey of 1-[[3-(dimethylamino)phenyl]methyl]-3-(2-phenyl-2-pyrrolidin-1-ylethyl)urea?
The InChIKey is JZPOWFVFURRCHD-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H30N4O/c1-25(2)20-12-8-9-18(15-20)16-23-22(27)24-17-21(26-13-6-7-14-26)19-10-4-3-5-11-19/h3-5,8-12,15,21H,6-7,13-14,16-17H2,1-2H3,(H2,23,24,27).
What are the key properties of 1-[[3-(dimethylamino)phenyl]methyl]-3-(2-phenyl-2-pyrrolidin-1-ylethyl)urea?
1-[[3-(dimethylamino)phenyl]methyl]-3-(2-phenyl-2-pyrrolidin-1-ylethyl)urea has a molecular weight of 366.51 g/mol, XLogP of 3.39, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[3-(dimethylamino)phenyl]methyl]-3-(2-phenyl-2-pyrrolidin-1-ylethyl)urea is sourced from PubChem (CID 60607590), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).