1-ethyl-3-(2-ethyl-6-propan-2-ylphenyl)-1-(2-pyridin-2-ylethyl)urea

C21H29N3O — CID 23988043

IUPAC1-ethyl-3-(2-ethyl-6-propan-2-ylphenyl)-1-(2-pyridin-2-ylethyl)urea
SMILESCCc1cccc(C(C)C)c1NC(=O)N(CC)CCc1ccccn1
InChIInChI=1S/C21H29N3O/c1-5-17-10-9-12-19(16(3)4)20(17)23-21(25)24(6-2)15-13-18-11-7-8-14-22-18/h7-12,14,16H,5-6,13,15H2,1-4H3,(H,23,25)
InChIKeyLSPCNYNIFXOAAI-UHFFFAOYSA-N
MW339.48 g/mol
LogP4.86
Rot. Bonds7

About 1-ethyl-3-(2-ethyl-6-propan-2-ylphenyl)-1-(2-pyridin-2-ylethyl)urea

1-ethyl-3-(2-ethyl-6-propan-2-ylphenyl)-1-(2-pyridin-2-ylethyl)urea (PubChem CID 23988043) has the molecular formula C21H29N3O and a molecular weight of 339.48 g/mol. Its IUPAC name is 1-ethyl-3-(2-ethyl-6-propan-2-ylphenyl)-1-(2-pyridin-2-ylethyl)urea.

Molecular Properties

Compound Name1-ethyl-3-(2-ethyl-6-propan-2-ylphenyl)-1-(2-pyridin-2-ylethyl)urea
PubChem CID23988043
Molecular FormulaC21H29N3O
Molecular Weight339.48 g/mol
Exact Mass339.23
IUPAC Name1-ethyl-3-(2-ethyl-6-propan-2-ylphenyl)-1-(2-pyridin-2-ylethyl)urea
SMILESCCc1cccc(C(C)C)c1NC(=O)N(CC)CCc1ccccn1
InChIInChI=1S/C21H29N3O/c1-5-17-10-9-12-19(16(3)4)20(17)23-21(25)24(6-2)15-13-18-11-7-8-14-22-18/h7-12,14,16H,5-6,13,15H2,1-4H3,(H,23,25)
InChIKeyLSPCNYNIFXOAAI-UHFFFAOYSA-N
XLogP4.86
TPSA45.23 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.48
LogP ≤ 54.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-[2,6-di(propan-2-yl)phenyl]-1,1-bis(pyridin-2-ylmethyl)urea
CID 23737954
3-(2,6-diethylphenyl)-1-methyl-1-(2-pyridin-2-ylethyl)urea
CID 86987284
3-(3,5-dimethylphenyl)-1-ethyl-1-(2-pyridin-2-ylethyl)urea
CID 23767643
3-(4-cyanophenyl)-1-ethyl-1-(2-pyridin-2-ylethyl)urea
CID 23994401
3-(2,6-diethylphenyl)-1-methyl-1-(pyridin-2-ylmethyl)urea
CID 47489186
1-(2-cyanoethyl)-3-(2-methyl-6-propan-2-ylphenyl)-1-(pyridin-2-ylmethyl)urea
CID 71857134
1-(cyclopropylmethyl)-3-(2-ethyl-6-propan-2-ylphenyl)-1-propylurea
CID 3684138
1,1-diethyl-3-(2-pyridin-2-ylethyl)urea
CID 115583070
ethane;2-methyl-N-(2-pyridin-2-ylethyl)propanamide
CID 142112887
3-[ethyl-[(2-propan-2-ylphenyl)carbamoyl]amino]propanoic acid
CID 61181082
N'-(2,6-diethylphenyl)-N-(pyridin-2-ylmethyl)oxamide
CID 108511400
1-(2,2-diethoxyethyl)-3-[2,6-di(propan-2-yl)phenyl]-1-(2-phenylethyl)urea
CID 4687222

Frequently Asked Questions

What is the IUPAC name of 1-ethyl-3-(2-ethyl-6-propan-2-ylphenyl)-1-(2-pyridin-2-ylethyl)urea?
The IUPAC name of 1-ethyl-3-(2-ethyl-6-propan-2-ylphenyl)-1-(2-pyridin-2-ylethyl)urea (CID 23988043) is 1-ethyl-3-(2-ethyl-6-propan-2-ylphenyl)-1-(2-pyridin-2-ylethyl)urea.
What is the SMILES notation for 1-ethyl-3-(2-ethyl-6-propan-2-ylphenyl)-1-(2-pyridin-2-ylethyl)urea?
The canonical SMILES for 1-ethyl-3-(2-ethyl-6-propan-2-ylphenyl)-1-(2-pyridin-2-ylethyl)urea is CCc1cccc(C(C)C)c1NC(=O)N(CC)CCc1ccccn1.
What is the InChIKey of 1-ethyl-3-(2-ethyl-6-propan-2-ylphenyl)-1-(2-pyridin-2-ylethyl)urea?
The InChIKey is LSPCNYNIFXOAAI-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H29N3O/c1-5-17-10-9-12-19(16(3)4)20(17)23-21(25)24(6-2)15-13-18-11-7-8-14-22-18/h7-12,14,16H,5-6,13,15H2,1-4H3,(H,23,25).
What are the key properties of 1-ethyl-3-(2-ethyl-6-propan-2-ylphenyl)-1-(2-pyridin-2-ylethyl)urea?
1-ethyl-3-(2-ethyl-6-propan-2-ylphenyl)-1-(2-pyridin-2-ylethyl)urea has a molecular weight of 339.48 g/mol, XLogP of 4.86, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-3-(2-ethyl-6-propan-2-ylphenyl)-1-(2-pyridin-2-ylethyl)urea is sourced from PubChem (CID 23988043), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).