1,1-diethyl-3-[2-(2-methylphenyl)-3-pyridin-3-ylpropyl]urea

C20H27N3O — CID 110361075

IUPAC1,1-diethyl-3-[2-(2-methylphenyl)-3-pyridin-3-ylpropyl]urea
SMILESCCN(CC)C(=O)NCC(Cc1cccnc1)c1ccccc1C
InChIInChI=1S/C20H27N3O/c1-4-23(5-2)20(24)22-15-18(13-17-10-8-12-21-14-17)19-11-7-6-9-16(19)3/h6-12,14,18H,4-5,13,15H2,1-3H3,(H,22,24)
InChIKeyWLRNLPHTDCUEIR-UHFFFAOYSA-N
MW325.46 g/mol
LogP3.77
Rot. Bonds7

About 1,1-diethyl-3-[2-(2-methylphenyl)-3-pyridin-3-ylpropyl]urea

1,1-diethyl-3-[2-(2-methylphenyl)-3-pyridin-3-ylpropyl]urea (PubChem CID 110361075) has the molecular formula C20H27N3O and a molecular weight of 325.46 g/mol. Its IUPAC name is 1,1-diethyl-3-[2-(2-methylphenyl)-3-pyridin-3-ylpropyl]urea.

Molecular Properties

Compound Name1,1-diethyl-3-[2-(2-methylphenyl)-3-pyridin-3-ylpropyl]urea
PubChem CID110361075
Molecular FormulaC20H27N3O
Molecular Weight325.46 g/mol
Exact Mass325.22
IUPAC Name1,1-diethyl-3-[2-(2-methylphenyl)-3-pyridin-3-ylpropyl]urea
SMILESCCN(CC)C(=O)NCC(Cc1cccnc1)c1ccccc1C
InChIInChI=1S/C20H27N3O/c1-4-23(5-2)20(24)22-15-18(13-17-10-8-12-21-14-17)19-11-7-6-9-16(19)3/h6-12,14,18H,4-5,13,15H2,1-3H3,(H,22,24)
InChIKeyWLRNLPHTDCUEIR-UHFFFAOYSA-N
XLogP3.77
TPSA45.23 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.46
LogP ≤ 53.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[2-(2-methylphenyl)-3-pyridin-3-ylpropyl]propanamide
CID 110361067
1,1-diethyl-3-[(2R)-2-hydroxy-2-(2-methylphenyl)ethyl]urea
CID 97239385
1-(2-methylphenyl)-2-pyridin-3-ylethanol
CID 62551193
N-[2-(4-methylphenyl)-3-pyridin-3-ylpropyl]propanamide
CID 110361050
ethyl N-[2-(4-methylphenyl)-3-pyridin-3-ylpropyl]carbamate
CID 110361056
1-[1-(2-methylphenyl)ethyl]-3-(pyridin-3-ylmethyl)urea
CID 47014443
N-[2-hydroxy-2-(2-methylphenyl)ethyl]-2-(pyridin-3-ylmethylsulfanyl)acetamide
CID 111119811
3-[ethyl(pyridin-3-ylmethylcarbamoyl)amino]propanoic acid
CID 61200236
ethyl 2-fluoro-3-pyridin-3-ylpropanoate
CID 55265604
3-amino-N,N-diethyl-2-oxo-4-pyridin-3-ylbutanamide
CID 143418820
2-[carboxymethyl(pyridin-3-ylmethylcarbamoyl)amino]acetic acid
CID 63645773
2-[(2-methylphenyl)methyl]-3-pyridin-3-ylpropanoic acid
CID 79418162

Frequently Asked Questions

What is the IUPAC name of 1,1-diethyl-3-[2-(2-methylphenyl)-3-pyridin-3-ylpropyl]urea?
The IUPAC name of 1,1-diethyl-3-[2-(2-methylphenyl)-3-pyridin-3-ylpropyl]urea (CID 110361075) is 1,1-diethyl-3-[2-(2-methylphenyl)-3-pyridin-3-ylpropyl]urea.
What is the SMILES notation for 1,1-diethyl-3-[2-(2-methylphenyl)-3-pyridin-3-ylpropyl]urea?
The canonical SMILES for 1,1-diethyl-3-[2-(2-methylphenyl)-3-pyridin-3-ylpropyl]urea is CCN(CC)C(=O)NCC(Cc1cccnc1)c1ccccc1C.
What is the InChIKey of 1,1-diethyl-3-[2-(2-methylphenyl)-3-pyridin-3-ylpropyl]urea?
The InChIKey is WLRNLPHTDCUEIR-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H27N3O/c1-4-23(5-2)20(24)22-15-18(13-17-10-8-12-21-14-17)19-11-7-6-9-16(19)3/h6-12,14,18H,4-5,13,15H2,1-3H3,(H,22,24).
What are the key properties of 1,1-diethyl-3-[2-(2-methylphenyl)-3-pyridin-3-ylpropyl]urea?
1,1-diethyl-3-[2-(2-methylphenyl)-3-pyridin-3-ylpropyl]urea has a molecular weight of 325.46 g/mol, XLogP of 3.77, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1-diethyl-3-[2-(2-methylphenyl)-3-pyridin-3-ylpropyl]urea is sourced from PubChem (CID 110361075), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).