1-(4-bromo-3,5-dimethylphenyl)-3-[(3R)-3-hydroxy-4-methoxybutyl]urea

C14H21BrN2O3 — CID 99836310

IUPAC1-(4-bromo-3,5-dimethylphenyl)-3-[(3R)-3-hydroxy-4-methoxybutyl]urea
SMILESCOC[C@H](O)CCNC(=O)Nc1cc(C)c(Br)c(C)c1
InChIInChI=1S/C14H21BrN2O3/c1-9-6-11(7-10(2)13(9)15)17-14(19)16-5-4-12(18)8-20-3/h6-7,12,18H,4-5,8H2,1-3H3,(H2,16,17,19)/t12-/m1/s1
InChIKeySATCKRCKOMSFDV-GFCCVEGCSA-N
MW345.24 g/mol
LogP2.58
Rot. Bonds6

About 1-(4-bromo-3,5-dimethylphenyl)-3-[(3R)-3-hydroxy-4-methoxybutyl]urea

1-(4-bromo-3,5-dimethylphenyl)-3-[(3R)-3-hydroxy-4-methoxybutyl]urea (PubChem CID 99836310) has the molecular formula C14H21BrN2O3 and a molecular weight of 345.24 g/mol. Its IUPAC name is 1-(4-bromo-3,5-dimethylphenyl)-3-[(3R)-3-hydroxy-4-methoxybutyl]urea.

Molecular Properties

Compound Name1-(4-bromo-3,5-dimethylphenyl)-3-[(3R)-3-hydroxy-4-methoxybutyl]urea
PubChem CID99836310
Molecular FormulaC14H21BrN2O3
Molecular Weight345.24 g/mol
Exact Mass344.07
IUPAC Name1-(4-bromo-3,5-dimethylphenyl)-3-[(3R)-3-hydroxy-4-methoxybutyl]urea
SMILESCOC[C@H](O)CCNC(=O)Nc1cc(C)c(Br)c(C)c1
InChIInChI=1S/C14H21BrN2O3/c1-9-6-11(7-10(2)13(9)15)17-14(19)16-5-4-12(18)8-20-3/h6-7,12,18H,4-5,8H2,1-3H3,(H2,16,17,19)/t12-/m1/s1
InChIKeySATCKRCKOMSFDV-GFCCVEGCSA-N
XLogP2.58
TPSA70.59 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.24
LogP ≤ 52.58
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Analyze 1-(4-bromo-3,5-dimethylphenyl)-3-[(3R)-3-hydroxy-4-methoxybutyl]urea with MolForge

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Related Compounds

1-(3-hydroxy-4-methoxybutyl)-3-phenylurea
CID 103875503
1-(5-bromo-4-fluoro-2-methylphenyl)-3-(3-hydroxy-4-methoxybutyl)urea
CID 119035065
1-(3-acetylphenyl)-3-(3-hydroxy-4-methoxybutyl)urea
CID 103876096
3-[(4-bromo-3,5-dimethylphenyl)carbamoylamino]-2-methoxypropanoic acid
CID 106110636
1-(3,5-dimethylphenyl)-3-(2-methoxyethyl)urea
CID 47194755
2-amino-N-(4-bromo-3,5-dimethylphenyl)-4-methoxybutanamide
CID 107574238
1-(3,4-dimethylphenyl)-3-(2-methoxyethyl)urea
CID 47135210
2-[(3-hydroxy-4-methoxybutyl)carbamoyl]-3,6-dimethylbenzoic acid
CID 106244270
1-benzyl-3-(3-hydroxy-4-methoxybutyl)urea
CID 103875504
2-[(3-hydroxy-4-methoxybutyl)carbamoylamino]-4,5-dimethylthiophene-3-carboxylic acid
CID 106248370
3-[(4-bromo-3,5-dimethylphenyl)carbamoylamino]-2,2-dimethylpropanoic acid
CID 107576363
2-bromo-3-fluoro-N-(3-hydroxy-4-methoxybutyl)benzamide
CID 106243511

Frequently Asked Questions

What is the IUPAC name of 1-(4-bromo-3,5-dimethylphenyl)-3-[(3R)-3-hydroxy-4-methoxybutyl]urea?
The IUPAC name of 1-(4-bromo-3,5-dimethylphenyl)-3-[(3R)-3-hydroxy-4-methoxybutyl]urea (CID 99836310) is 1-(4-bromo-3,5-dimethylphenyl)-3-[(3R)-3-hydroxy-4-methoxybutyl]urea.
What is the SMILES notation for 1-(4-bromo-3,5-dimethylphenyl)-3-[(3R)-3-hydroxy-4-methoxybutyl]urea?
The canonical SMILES for 1-(4-bromo-3,5-dimethylphenyl)-3-[(3R)-3-hydroxy-4-methoxybutyl]urea is COC[C@H](O)CCNC(=O)Nc1cc(C)c(Br)c(C)c1.
What is the InChIKey of 1-(4-bromo-3,5-dimethylphenyl)-3-[(3R)-3-hydroxy-4-methoxybutyl]urea?
The InChIKey is SATCKRCKOMSFDV-GFCCVEGCSA-N. The full InChI is InChI=1S/C14H21BrN2O3/c1-9-6-11(7-10(2)13(9)15)17-14(19)16-5-4-12(18)8-20-3/h6-7,12,18H,4-5,8H2,1-3H3,(H2,16,17,19)/t12-/m1/s1.
What are the key properties of 1-(4-bromo-3,5-dimethylphenyl)-3-[(3R)-3-hydroxy-4-methoxybutyl]urea?
1-(4-bromo-3,5-dimethylphenyl)-3-[(3R)-3-hydroxy-4-methoxybutyl]urea has a molecular weight of 345.24 g/mol, XLogP of 2.58, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-bromo-3,5-dimethylphenyl)-3-[(3R)-3-hydroxy-4-methoxybutyl]urea is sourced from PubChem (CID 99836310), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).