3-(2-tert-butylphenyl)-1-(2-methoxyethyl)-1-propylurea

C17H28N2O2 — CID 3850289

IUPAC3-(2-tert-butylphenyl)-1-(2-methoxyethyl)-1-propylurea
SMILESCCCN(CCOC)C(=O)Nc1ccccc1C(C)(C)C
InChIInChI=1S/C17H28N2O2/c1-6-11-19(12-13-21-5)16(20)18-15-10-8-7-9-14(15)17(2,3)4/h7-10H,6,11-13H2,1-5H3,(H,18,20)
InChIKeyNPLOKCOIDSWBPQ-UHFFFAOYSA-N
MW292.42 g/mol
LogP3.87
Rot. Bonds6

About 3-(2-tert-butylphenyl)-1-(2-methoxyethyl)-1-propylurea

3-(2-tert-butylphenyl)-1-(2-methoxyethyl)-1-propylurea (PubChem CID 3850289) has the molecular formula C17H28N2O2 and a molecular weight of 292.42 g/mol. Its IUPAC name is 3-(2-tert-butylphenyl)-1-(2-methoxyethyl)-1-propylurea.

Molecular Properties

Compound Name3-(2-tert-butylphenyl)-1-(2-methoxyethyl)-1-propylurea
PubChem CID3850289
Molecular FormulaC17H28N2O2
Molecular Weight292.42 g/mol
Exact Mass292.22
IUPAC Name3-(2-tert-butylphenyl)-1-(2-methoxyethyl)-1-propylurea
SMILESCCCN(CCOC)C(=O)Nc1ccccc1C(C)(C)C
InChIInChI=1S/C17H28N2O2/c1-6-11-19(12-13-21-5)16(20)18-15-10-8-7-9-14(15)17(2,3)4/h7-10H,6,11-13H2,1-5H3,(H,18,20)
InChIKeyNPLOKCOIDSWBPQ-UHFFFAOYSA-N
XLogP3.87
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.42
LogP ≤ 53.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(2-methoxyethyl)-3-naphthalen-1-yl-1-propylurea
CID 3823639
3-(2-tert-butylphenyl)-1-(2-hydroxy-3-methoxypropyl)-1-methylurea
CID 110903895
N-(2-tert-butylphenyl)-N',N'-diethyloxamide
CID 47335864
N-ethyl-N-(2-methoxyethyl)-2-(propylamino)benzamide
CID 55047435
2-[acetyl(2-methoxyethyl)amino]-N-[2-(trifluoromethyl)phenyl]acetamide
CID 113159931
1,1-bis(2-methoxyethyl)-3-(4-phenylphenyl)urea
CID 108867129
N-(2-tert-butylphenyl)-2-(methoxymethoxy)propanamide
CID 73080335
2-[(2-tert-butylphenyl)carbamoyl-prop-2-enylamino]acetic acid
CID 79270854
3-N-(2-tert-butylphenyl)-1-N-(2-methoxyethyl)benzene-1,3-dicarboxamide
CID 109052583
N-(3-tert-butyl-1-methylpyrazol-5-yl)-2-[(2-ethylphenyl)carbamoyl-(2-methoxyethyl)amino]acetamide
CID 42740698
3-(2,6-dichloro-4-pyridinyl)-1-(2-methoxyethyl)-1-propylurea
CID 3738621
3-(2-tert-butylphenyl)-1-(3-hydroxybutyl)-1-methylurea
CID 111578846

Frequently Asked Questions

What is the IUPAC name of 3-(2-tert-butylphenyl)-1-(2-methoxyethyl)-1-propylurea?
The IUPAC name of 3-(2-tert-butylphenyl)-1-(2-methoxyethyl)-1-propylurea (CID 3850289) is 3-(2-tert-butylphenyl)-1-(2-methoxyethyl)-1-propylurea.
What is the SMILES notation for 3-(2-tert-butylphenyl)-1-(2-methoxyethyl)-1-propylurea?
The canonical SMILES for 3-(2-tert-butylphenyl)-1-(2-methoxyethyl)-1-propylurea is CCCN(CCOC)C(=O)Nc1ccccc1C(C)(C)C.
What is the InChIKey of 3-(2-tert-butylphenyl)-1-(2-methoxyethyl)-1-propylurea?
The InChIKey is NPLOKCOIDSWBPQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H28N2O2/c1-6-11-19(12-13-21-5)16(20)18-15-10-8-7-9-14(15)17(2,3)4/h7-10H,6,11-13H2,1-5H3,(H,18,20).
What are the key properties of 3-(2-tert-butylphenyl)-1-(2-methoxyethyl)-1-propylurea?
3-(2-tert-butylphenyl)-1-(2-methoxyethyl)-1-propylurea has a molecular weight of 292.42 g/mol, XLogP of 3.87, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-tert-butylphenyl)-1-(2-methoxyethyl)-1-propylurea is sourced from PubChem (CID 3850289), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).