1-[2-(diethylamino)ethyl]-3-(4-methyl-2-propoxyphenyl)urea

C17H29N3O2 — CID 55925113

IUPAC1-[2-(diethylamino)ethyl]-3-(4-methyl-2-propoxyphenyl)urea
SMILESCCCOc1cc(C)ccc1NC(=O)NCCN(CC)CC
InChIInChI=1S/C17H29N3O2/c1-5-12-22-16-13-14(4)8-9-15(16)19-17(21)18-10-11-20(6-2)7-3/h8-9,13H,5-7,10-12H2,1-4H3,(H2,18,19,21)
InChIKeyOBGMIPWXONDWJU-UHFFFAOYSA-N
MW307.44 g/mol
LogP3.25
Rot. Bonds9

About 1-[2-(diethylamino)ethyl]-3-(4-methyl-2-propoxyphenyl)urea

1-[2-(diethylamino)ethyl]-3-(4-methyl-2-propoxyphenyl)urea (PubChem CID 55925113) has the molecular formula C17H29N3O2 and a molecular weight of 307.44 g/mol. Its IUPAC name is 1-[2-(diethylamino)ethyl]-3-(4-methyl-2-propoxyphenyl)urea.

Molecular Properties

Compound Name1-[2-(diethylamino)ethyl]-3-(4-methyl-2-propoxyphenyl)urea
PubChem CID55925113
Molecular FormulaC17H29N3O2
Molecular Weight307.44 g/mol
Exact Mass307.23
IUPAC Name1-[2-(diethylamino)ethyl]-3-(4-methyl-2-propoxyphenyl)urea
SMILESCCCOc1cc(C)ccc1NC(=O)NCCN(CC)CC
InChIInChI=1S/C17H29N3O2/c1-5-12-22-16-13-14(4)8-9-15(16)19-17(21)18-10-11-20(6-2)7-3/h8-9,13H,5-7,10-12H2,1-4H3,(H2,18,19,21)
InChIKeyOBGMIPWXONDWJU-UHFFFAOYSA-N
XLogP3.25
TPSA53.60 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.44
LogP ≤ 53.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-(4-methyl-2-propoxyphenyl)-3-(2-methylpropyl)urea
CID 47262023
2-methyl-N-(4-methyl-2-propoxyphenyl)propanamide
CID 61062170
2-hydroxy-2-methyl-3-[(4-methyl-2-propoxyphenyl)carbamoylamino]propanoic acid
CID 122076852
N-(4-methyl-2-propoxyphenyl)butanamide
CID 61061572
1-(2-ethoxy-4-methylphenyl)-3-prop-2-enylurea
CID 47261966
4-[[2-(2-methoxyethoxy)-4-methylphenyl]carbamoylamino]butanoic acid
CID 122076970
2-methoxy-N-(4-methyl-2-propoxyphenyl)acetamide
CID 61062328
1-(2-ethoxy-4-methylphenyl)-3-(3-hydroxybutyl)urea
CID 111336863
2-(tert-butylamino)-N-(4-methyl-2-propoxyphenyl)acetamide
CID 78923766
phenyl N-(4-methyl-2-propoxyphenyl)carbamate
CID 61216988
6-(4-methyl-2-propoxyanilino)-6-oxohexanoic acid
CID 60934555
N-[2-(diethylamino)ethyl]-5-(2,5-dimethylphenoxy)-2,2-dimethylpentanamide
CID 54783817

Frequently Asked Questions

What is the IUPAC name of 1-[2-(diethylamino)ethyl]-3-(4-methyl-2-propoxyphenyl)urea?
The IUPAC name of 1-[2-(diethylamino)ethyl]-3-(4-methyl-2-propoxyphenyl)urea (CID 55925113) is 1-[2-(diethylamino)ethyl]-3-(4-methyl-2-propoxyphenyl)urea.
What is the SMILES notation for 1-[2-(diethylamino)ethyl]-3-(4-methyl-2-propoxyphenyl)urea?
The canonical SMILES for 1-[2-(diethylamino)ethyl]-3-(4-methyl-2-propoxyphenyl)urea is CCCOc1cc(C)ccc1NC(=O)NCCN(CC)CC.
What is the InChIKey of 1-[2-(diethylamino)ethyl]-3-(4-methyl-2-propoxyphenyl)urea?
The InChIKey is OBGMIPWXONDWJU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H29N3O2/c1-5-12-22-16-13-14(4)8-9-15(16)19-17(21)18-10-11-20(6-2)7-3/h8-9,13H,5-7,10-12H2,1-4H3,(H2,18,19,21).
What are the key properties of 1-[2-(diethylamino)ethyl]-3-(4-methyl-2-propoxyphenyl)urea?
1-[2-(diethylamino)ethyl]-3-(4-methyl-2-propoxyphenyl)urea has a molecular weight of 307.44 g/mol, XLogP of 3.25, 9 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(diethylamino)ethyl]-3-(4-methyl-2-propoxyphenyl)urea is sourced from PubChem (CID 55925113), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).