1-[(1R)-1-(2-methoxy-5-methylphenyl)ethyl]-3-phenylurea

C17H20N2O2 — CID 41077139

IUPAC1-[(1R)-1-(2-methoxy-5-methylphenyl)ethyl]-3-phenylurea
SMILESCOc1ccc(C)cc1[C@@H](C)NC(=O)Nc1ccccc1
InChIInChI=1S/C17H20N2O2/c1-12-9-10-16(21-3)15(11-12)13(2)18-17(20)19-14-7-5-4-6-8-14/h4-11,13H,1-3H3,(H2,18,19,20)/t13-/m1/s1
InChIKeyARBMUNCPTMEZTL-CYBMUJFWSA-N
MW284.36 g/mol
LogP3.89
Rot. Bonds4

About 1-[(1R)-1-(2-methoxy-5-methylphenyl)ethyl]-3-phenylurea

1-[(1R)-1-(2-methoxy-5-methylphenyl)ethyl]-3-phenylurea (PubChem CID 41077139) has the molecular formula C17H20N2O2 and a molecular weight of 284.36 g/mol. Its IUPAC name is 1-[(1R)-1-(2-methoxy-5-methylphenyl)ethyl]-3-phenylurea.

Molecular Properties

Compound Name1-[(1R)-1-(2-methoxy-5-methylphenyl)ethyl]-3-phenylurea
PubChem CID41077139
Molecular FormulaC17H20N2O2
Molecular Weight284.36 g/mol
Exact Mass284.15
IUPAC Name1-[(1R)-1-(2-methoxy-5-methylphenyl)ethyl]-3-phenylurea
SMILESCOc1ccc(C)cc1[C@@H](C)NC(=O)Nc1ccccc1
InChIInChI=1S/C17H20N2O2/c1-12-9-10-16(21-3)15(11-12)13(2)18-17(20)19-14-7-5-4-6-8-14/h4-11,13H,1-3H3,(H2,18,19,20)/t13-/m1/s1
InChIKeyARBMUNCPTMEZTL-CYBMUJFWSA-N
XLogP3.89
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.36
LogP ≤ 53.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

1-[1-(2-methoxy-5-methylphenyl)ethyl]-3-[1-(2-methylphenyl)ethyl]urea
CID 42928249
4-benzamido-N-[1-(2-methoxy-5-methylphenyl)ethyl]benzamide
CID 134006936
phenyl N-[1-(2-methoxy-5-methylphenyl)ethyl]carbamate
CID 60666505
1-[1-(2-ethoxy-5-methylphenyl)ethyl]-3-(3-methoxyphenyl)urea
CID 108869124
1-[1-(2-methoxy-5-methylphenyl)ethyl]-3-(5-methyl-1,2-oxazol-3-yl)urea
CID 51264449
1-(1-hydroxybutan-2-yl)-3-[1-(2-methoxy-5-methylphenyl)ethyl]urea
CID 110892420
(2S)-2-amino-N-[1-(2-methoxy-5-methylphenyl)ethyl]-3-phenylpropanamide;hydrochloride
CID 119272993
N-[4-[1-(2-methoxy-5-methylphenyl)ethylamino]phenyl]acetamide
CID 43824770
2-chloro-N-[(1R)-1-(2-methoxy-5-methylphenyl)ethyl]benzamide
CID 26009266
2-chloro-N-[1-(2-methoxy-5-methylphenyl)ethyl]propanamide
CID 43697668
1-[1-(2-aminophenyl)ethyl]-3-(4-methylphenyl)urea
CID 43437708
1-(3-bromophenyl)-3-[1-(2,5-dimethoxyphenyl)ethyl]urea
CID 55696724

Frequently Asked Questions

What is the IUPAC name of 1-[(1R)-1-(2-methoxy-5-methylphenyl)ethyl]-3-phenylurea?
The IUPAC name of 1-[(1R)-1-(2-methoxy-5-methylphenyl)ethyl]-3-phenylurea (CID 41077139) is 1-[(1R)-1-(2-methoxy-5-methylphenyl)ethyl]-3-phenylurea.
What is the SMILES notation for 1-[(1R)-1-(2-methoxy-5-methylphenyl)ethyl]-3-phenylurea?
The canonical SMILES for 1-[(1R)-1-(2-methoxy-5-methylphenyl)ethyl]-3-phenylurea is COc1ccc(C)cc1[C@@H](C)NC(=O)Nc1ccccc1.
What is the InChIKey of 1-[(1R)-1-(2-methoxy-5-methylphenyl)ethyl]-3-phenylurea?
The InChIKey is ARBMUNCPTMEZTL-CYBMUJFWSA-N. The full InChI is InChI=1S/C17H20N2O2/c1-12-9-10-16(21-3)15(11-12)13(2)18-17(20)19-14-7-5-4-6-8-14/h4-11,13H,1-3H3,(H2,18,19,20)/t13-/m1/s1.
What are the key properties of 1-[(1R)-1-(2-methoxy-5-methylphenyl)ethyl]-3-phenylurea?
1-[(1R)-1-(2-methoxy-5-methylphenyl)ethyl]-3-phenylurea has a molecular weight of 284.36 g/mol, XLogP of 3.89, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(1R)-1-(2-methoxy-5-methylphenyl)ethyl]-3-phenylurea is sourced from PubChem (CID 41077139), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).