1-methyl-1-[2-(4-methylphenoxy)ethyl]-3-[2-(4-methylpiperidin-1-yl)propyl]urea

C20H33N3O2 — CID 60597978

IUPAC1-methyl-1-[2-(4-methylphenoxy)ethyl]-3-[2-(4-methylpiperidin-1-yl)propyl]urea
SMILESCc1ccc(OCCN(C)C(=O)NCC(C)N2CCC(C)CC2)cc1
InChIInChI=1S/C20H33N3O2/c1-16-5-7-19(8-6-16)25-14-13-22(4)20(24)21-15-18(3)23-11-9-17(2)10-12-23/h5-8,17-18H,9-15H2,1-4H3,(H,21,24)
InChIKeyLPCCJTMVSUCGBQ-UHFFFAOYSA-N
MW347.50 g/mol
LogP3.14
Rot. Bonds7

About 1-methyl-1-[2-(4-methylphenoxy)ethyl]-3-[2-(4-methylpiperidin-1-yl)propyl]urea

1-methyl-1-[2-(4-methylphenoxy)ethyl]-3-[2-(4-methylpiperidin-1-yl)propyl]urea (PubChem CID 60597978) has the molecular formula C20H33N3O2 and a molecular weight of 347.50 g/mol. Its IUPAC name is 1-methyl-1-[2-(4-methylphenoxy)ethyl]-3-[2-(4-methylpiperidin-1-yl)propyl]urea.

Molecular Properties

Compound Name1-methyl-1-[2-(4-methylphenoxy)ethyl]-3-[2-(4-methylpiperidin-1-yl)propyl]urea
PubChem CID60597978
Molecular FormulaC20H33N3O2
Molecular Weight347.50 g/mol
Exact Mass347.26
IUPAC Name1-methyl-1-[2-(4-methylphenoxy)ethyl]-3-[2-(4-methylpiperidin-1-yl)propyl]urea
SMILESCc1ccc(OCCN(C)C(=O)NCC(C)N2CCC(C)CC2)cc1
InChIInChI=1S/C20H33N3O2/c1-16-5-7-19(8-6-16)25-14-13-22(4)20(24)21-15-18(3)23-11-9-17(2)10-12-23/h5-8,17-18H,9-15H2,1-4H3,(H,21,24)
InChIKeyLPCCJTMVSUCGBQ-UHFFFAOYSA-N
XLogP3.14
TPSA44.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.50
LogP ≤ 53.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-methyl-1-[2-(4-methylphenoxy)ethyl]-3-prop-2-enylurea
CID 86912586
3-benzyl-1-methyl-1-[2-(4-methylphenoxy)ethyl]urea
CID 27533745
1-methyl-3-[1-(5-methylfuran-2-yl)ethyl]-1-[2-(4-methylphenoxy)ethyl]urea
CID 87000120
1-methyl-3-[(4-methylphenyl)methyl]-1-(2-phenoxyethyl)urea
CID 27517654
2-amino-N-methyl-N-[2-(4-methylphenoxy)ethyl]propanamide
CID 54869918
1-methyl-3-[(2S)-2-(4-methylphenyl)-2-(4-methylpiperidin-1-yl)ethyl]-1-(pyridin-2-ylmethyl)urea
CID 125447291
1-methyl-3-[(2R)-2-(4-methylphenyl)-2-(4-methylpiperidin-1-yl)ethyl]-1-(pyridin-2-ylmethyl)urea
CID 125447292
1-methyl-1-[2-(4-methylphenoxy)ethyl]-3-[[2-(morpholin-4-ylmethyl)phenyl]methyl]urea
CID 86914351
N-[2-(4-methylpiperidin-1-yl)propyl]benzamide
CID 112502434
N',4-dimethyl-N-[4-(4-methylphenoxy)butyl]piperidine-1-carboximidamide;hydroiodide
CID 111212024
2-(dimethylamino)-N-[2-(4-methylpiperidin-1-yl)propyl]-2-phenylacetamide
CID 110620673
N-[(2R)-2-(5-methylfuran-2-yl)-2-(4-methylpiperidin-1-yl)ethyl]-2-(4-methylphenoxy)acetamide
CID 26834791

Frequently Asked Questions

What is the IUPAC name of 1-methyl-1-[2-(4-methylphenoxy)ethyl]-3-[2-(4-methylpiperidin-1-yl)propyl]urea?
The IUPAC name of 1-methyl-1-[2-(4-methylphenoxy)ethyl]-3-[2-(4-methylpiperidin-1-yl)propyl]urea (CID 60597978) is 1-methyl-1-[2-(4-methylphenoxy)ethyl]-3-[2-(4-methylpiperidin-1-yl)propyl]urea.
What is the SMILES notation for 1-methyl-1-[2-(4-methylphenoxy)ethyl]-3-[2-(4-methylpiperidin-1-yl)propyl]urea?
The canonical SMILES for 1-methyl-1-[2-(4-methylphenoxy)ethyl]-3-[2-(4-methylpiperidin-1-yl)propyl]urea is Cc1ccc(OCCN(C)C(=O)NCC(C)N2CCC(C)CC2)cc1.
What is the InChIKey of 1-methyl-1-[2-(4-methylphenoxy)ethyl]-3-[2-(4-methylpiperidin-1-yl)propyl]urea?
The InChIKey is LPCCJTMVSUCGBQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H33N3O2/c1-16-5-7-19(8-6-16)25-14-13-22(4)20(24)21-15-18(3)23-11-9-17(2)10-12-23/h5-8,17-18H,9-15H2,1-4H3,(H,21,24).
What are the key properties of 1-methyl-1-[2-(4-methylphenoxy)ethyl]-3-[2-(4-methylpiperidin-1-yl)propyl]urea?
1-methyl-1-[2-(4-methylphenoxy)ethyl]-3-[2-(4-methylpiperidin-1-yl)propyl]urea has a molecular weight of 347.50 g/mol, XLogP of 3.14, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-1-[2-(4-methylphenoxy)ethyl]-3-[2-(4-methylpiperidin-1-yl)propyl]urea is sourced from PubChem (CID 60597978), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).