1-[(1R)-1-(2-bromophenyl)ethyl]-3-(2-methoxyphenyl)-1-propylurea

C19H23BrN2O2 — CID 51954766

IUPAC1-[(1R)-1-(2-bromophenyl)ethyl]-3-(2-methoxyphenyl)-1-propylurea
SMILESCCCN(C(=O)Nc1ccccc1OC)[C@H](C)c1ccccc1Br
InChIInChI=1S/C19H23BrN2O2/c1-4-13-22(14(2)15-9-5-6-10-16(15)20)19(23)21-17-11-7-8-12-18(17)24-3/h5-12,14H,4,13H2,1-3H3,(H,21,23)/t14-/m1/s1
InChIKeyMTLKZYPGPWBOOK-CQSZACIVSA-N
MW391.31 g/mol
LogP5.46
Rot. Bonds6

About 1-[(1R)-1-(2-bromophenyl)ethyl]-3-(2-methoxyphenyl)-1-propylurea

1-[(1R)-1-(2-bromophenyl)ethyl]-3-(2-methoxyphenyl)-1-propylurea (PubChem CID 51954766) has the molecular formula C19H23BrN2O2 and a molecular weight of 391.31 g/mol. Its IUPAC name is 1-[(1R)-1-(2-bromophenyl)ethyl]-3-(2-methoxyphenyl)-1-propylurea.

Molecular Properties

Compound Name1-[(1R)-1-(2-bromophenyl)ethyl]-3-(2-methoxyphenyl)-1-propylurea
PubChem CID51954766
Molecular FormulaC19H23BrN2O2
Molecular Weight391.31 g/mol
Exact Mass390.09
IUPAC Name1-[(1R)-1-(2-bromophenyl)ethyl]-3-(2-methoxyphenyl)-1-propylurea
SMILESCCCN(C(=O)Nc1ccccc1OC)[C@H](C)c1ccccc1Br
InChIInChI=1S/C19H23BrN2O2/c1-4-13-22(14(2)15-9-5-6-10-16(15)20)19(23)21-17-11-7-8-12-18(17)24-3/h5-12,14H,4,13H2,1-3H3,(H,21,23)/t14-/m1/s1
InChIKeyMTLKZYPGPWBOOK-CQSZACIVSA-N
XLogP5.46
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500391.31
LogP ≤ 55.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[1-(2-bromophenyl)ethyl]-N-propylacetamide
CID 60778873
2-bromo-N-[1-(2-bromophenyl)ethyl]-2-methyl-N-propylpropanamide
CID 114328209
N-[1-(2-bromophenyl)ethyl]-2-methyl-2-(methylamino)-N-propylpropanamide
CID 62845983
(2R)-2-bromo-N-(2-methoxyphenyl)propanamide
CID 737002
1-(4-aminobutan-2-yl)-3-(2-methoxyphenyl)-1-methylurea
CID 63225235
3-(2-methoxyphenyl)-1,1-dimethylurea
CID 4216204
N-(2-methoxyphenyl)-2-propylpentanamide
CID 2995533
(2S)-2-bromo-N-(2-methoxyphenyl)butanamide
CID 40932699
2-amino-N-[1-(2-bromophenyl)ethyl]-N-propylcyclopropane-1-carboxamide
CID 55035536
ethyl 3-[(2-methoxyphenyl)carbamoyl-propylamino]propanoate
CID 42697935
1-(2-aminopropyl)-3-(2-methoxyphenyl)-1-methylurea
CID 63766734
3-(2-bromophenyl)-N-[2-(2-methoxyanilino)-2-oxoethyl]-N-propylprop-2-enamide
CID 76856671

Frequently Asked Questions

What is the IUPAC name of 1-[(1R)-1-(2-bromophenyl)ethyl]-3-(2-methoxyphenyl)-1-propylurea?
The IUPAC name of 1-[(1R)-1-(2-bromophenyl)ethyl]-3-(2-methoxyphenyl)-1-propylurea (CID 51954766) is 1-[(1R)-1-(2-bromophenyl)ethyl]-3-(2-methoxyphenyl)-1-propylurea.
What is the SMILES notation for 1-[(1R)-1-(2-bromophenyl)ethyl]-3-(2-methoxyphenyl)-1-propylurea?
The canonical SMILES for 1-[(1R)-1-(2-bromophenyl)ethyl]-3-(2-methoxyphenyl)-1-propylurea is CCCN(C(=O)Nc1ccccc1OC)[C@H](C)c1ccccc1Br.
What is the InChIKey of 1-[(1R)-1-(2-bromophenyl)ethyl]-3-(2-methoxyphenyl)-1-propylurea?
The InChIKey is MTLKZYPGPWBOOK-CQSZACIVSA-N. The full InChI is InChI=1S/C19H23BrN2O2/c1-4-13-22(14(2)15-9-5-6-10-16(15)20)19(23)21-17-11-7-8-12-18(17)24-3/h5-12,14H,4,13H2,1-3H3,(H,21,23)/t14-/m1/s1.
What are the key properties of 1-[(1R)-1-(2-bromophenyl)ethyl]-3-(2-methoxyphenyl)-1-propylurea?
1-[(1R)-1-(2-bromophenyl)ethyl]-3-(2-methoxyphenyl)-1-propylurea has a molecular weight of 391.31 g/mol, XLogP of 5.46, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(1R)-1-(2-bromophenyl)ethyl]-3-(2-methoxyphenyl)-1-propylurea is sourced from PubChem (CID 51954766), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).