1-(2-bromo-4,5-dimethoxyphenyl)-3-[2-(diethylamino)-4-methylpentyl]urea

C19H32BrN3O3 — CID 60569752

IUPAC1-(2-bromo-4,5-dimethoxyphenyl)-3-[2-(diethylamino)-4-methylpentyl]urea
SMILESCCN(CC)C(CNC(=O)Nc1cc(OC)c(OC)cc1Br)CC(C)C
InChIInChI=1S/C19H32BrN3O3/c1-7-23(8-2)14(9-13(3)4)12-21-19(24)22-16-11-18(26-6)17(25-5)10-15(16)20/h10-11,13-14H,7-9,12H2,1-6H3,(H2,21,22,24)
InChIKeyOJDKAGIXXKAVJS-UHFFFAOYSA-N
MW430.39 g/mol
LogP4.34
Rot. Bonds10

About 1-(2-bromo-4,5-dimethoxyphenyl)-3-[2-(diethylamino)-4-methylpentyl]urea

1-(2-bromo-4,5-dimethoxyphenyl)-3-[2-(diethylamino)-4-methylpentyl]urea (PubChem CID 60569752) has the molecular formula C19H32BrN3O3 and a molecular weight of 430.39 g/mol. Its IUPAC name is 1-(2-bromo-4,5-dimethoxyphenyl)-3-[2-(diethylamino)-4-methylpentyl]urea.

Molecular Properties

Compound Name1-(2-bromo-4,5-dimethoxyphenyl)-3-[2-(diethylamino)-4-methylpentyl]urea
PubChem CID60569752
Molecular FormulaC19H32BrN3O3
Molecular Weight430.39 g/mol
Exact Mass429.16
IUPAC Name1-(2-bromo-4,5-dimethoxyphenyl)-3-[2-(diethylamino)-4-methylpentyl]urea
SMILESCCN(CC)C(CNC(=O)Nc1cc(OC)c(OC)cc1Br)CC(C)C
InChIInChI=1S/C19H32BrN3O3/c1-7-23(8-2)14(9-13(3)4)12-21-19(24)22-16-11-18(26-6)17(25-5)10-15(16)20/h10-11,13-14H,7-9,12H2,1-6H3,(H2,21,22,24)
InChIKeyOJDKAGIXXKAVJS-UHFFFAOYSA-N
XLogP4.34
TPSA62.83 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500430.39
LogP ≤ 54.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-[2-(diethylamino)-4-methylpentyl]-3-(2-methoxy-4-methylphenyl)urea
CID 60545361
1-[(2S)-2-(diethylamino)-4-methylpentyl]-3-(3,4,5-trimethoxyphenyl)urea
CID 51944228
1-(2-bromophenyl)-3-[(2S)-2-(diethylamino)-4-methylpentyl]urea
CID 52590736
2-[[(2,4-dibromo-5-methoxyphenyl)carbamoylamino]methyl]butanoic acid
CID 103416262
1-(2-bromo-4,5-dimethoxyphenyl)-3-prop-2-enylurea
CID 47375927
1-[(2S)-2-(diethylamino)-4-methylpentyl]-3-(2-nitrophenyl)urea
CID 25474622
1-(2-bromo-4,5-dimethoxyphenyl)-3-(1-methoxypropan-2-yl)urea
CID 60569611
1-(2-bromo-4,5-dimethoxyphenyl)-3-[2-(dimethylamino)-2-(3-fluorophenyl)ethyl]urea
CID 60569463
2-amino-N-(2-bromo-4,5-dimethoxyphenyl)pentanamide;hydrochloride
CID 119301241
(2S)-2-[(2,4-dibromo-5-methoxyphenyl)carbamoylamino]butanoic acid
CID 103416237
3-(2,4-dibromo-5-methoxyphenyl)-1,1-diethylurea
CID 103412392
1-(2,4-dibromo-5-methoxyphenyl)-3-(2,2,2-trifluoroethyl)urea
CID 103412409

Frequently Asked Questions

What is the IUPAC name of 1-(2-bromo-4,5-dimethoxyphenyl)-3-[2-(diethylamino)-4-methylpentyl]urea?
The IUPAC name of 1-(2-bromo-4,5-dimethoxyphenyl)-3-[2-(diethylamino)-4-methylpentyl]urea (CID 60569752) is 1-(2-bromo-4,5-dimethoxyphenyl)-3-[2-(diethylamino)-4-methylpentyl]urea.
What is the SMILES notation for 1-(2-bromo-4,5-dimethoxyphenyl)-3-[2-(diethylamino)-4-methylpentyl]urea?
The canonical SMILES for 1-(2-bromo-4,5-dimethoxyphenyl)-3-[2-(diethylamino)-4-methylpentyl]urea is CCN(CC)C(CNC(=O)Nc1cc(OC)c(OC)cc1Br)CC(C)C.
What is the InChIKey of 1-(2-bromo-4,5-dimethoxyphenyl)-3-[2-(diethylamino)-4-methylpentyl]urea?
The InChIKey is OJDKAGIXXKAVJS-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H32BrN3O3/c1-7-23(8-2)14(9-13(3)4)12-21-19(24)22-16-11-18(26-6)17(25-5)10-15(16)20/h10-11,13-14H,7-9,12H2,1-6H3,(H2,21,22,24).
What are the key properties of 1-(2-bromo-4,5-dimethoxyphenyl)-3-[2-(diethylamino)-4-methylpentyl]urea?
1-(2-bromo-4,5-dimethoxyphenyl)-3-[2-(diethylamino)-4-methylpentyl]urea has a molecular weight of 430.39 g/mol, XLogP of 4.34, 10 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-bromo-4,5-dimethoxyphenyl)-3-[2-(diethylamino)-4-methylpentyl]urea is sourced from PubChem (CID 60569752), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).