1-[(1R)-1-(2,4-dimethylphenyl)ethyl]-3-(1-methylcyclobutyl)urea

C16H24N2O — CID 125448403

IUPAC1-[(1R)-1-(2,4-dimethylphenyl)ethyl]-3-(1-methylcyclobutyl)urea
SMILESCc1ccc([C@@H](C)NC(=O)NC2(C)CCC2)c(C)c1
InChIInChI=1S/C16H24N2O/c1-11-6-7-14(12(2)10-11)13(3)17-15(19)18-16(4)8-5-9-16/h6-7,10,13H,5,8-9H2,1-4H3,(H2,17,18,19)/t13-/m1/s1
InChIKeyNWJNWGMPHMZHPI-CYBMUJFWSA-N
MW260.38 g/mol
LogP3.61
Rot. Bonds3

About 1-[(1R)-1-(2,4-dimethylphenyl)ethyl]-3-(1-methylcyclobutyl)urea

1-[(1R)-1-(2,4-dimethylphenyl)ethyl]-3-(1-methylcyclobutyl)urea (PubChem CID 125448403) has the molecular formula C16H24N2O and a molecular weight of 260.38 g/mol. Its IUPAC name is 1-[(1R)-1-(2,4-dimethylphenyl)ethyl]-3-(1-methylcyclobutyl)urea.

Molecular Properties

Compound Name1-[(1R)-1-(2,4-dimethylphenyl)ethyl]-3-(1-methylcyclobutyl)urea
PubChem CID125448403
Molecular FormulaC16H24N2O
Molecular Weight260.38 g/mol
Exact Mass260.19
IUPAC Name1-[(1R)-1-(2,4-dimethylphenyl)ethyl]-3-(1-methylcyclobutyl)urea
SMILESCc1ccc([C@@H](C)NC(=O)NC2(C)CCC2)c(C)c1
InChIInChI=1S/C16H24N2O/c1-11-6-7-14(12(2)10-11)13(3)17-15(19)18-16(4)8-5-9-16/h6-7,10,13H,5,8-9H2,1-4H3,(H2,17,18,19)/t13-/m1/s1
InChIKeyNWJNWGMPHMZHPI-CYBMUJFWSA-N
XLogP3.61
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.38
LogP ≤ 53.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

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Related Compounds

1-cyclohexyl-3-[1-(2,4-dimethylphenyl)ethyl]urea
CID 45153648
N-[1-(2,4-dimethylphenyl)ethyl]acetamide
CID 17327567
1-chloro-N-[1-(2,4-dimethylphenyl)ethyl]-3,4,4a,5,6,7,8,8a-octahydro-2H-naphthalene-1-carboxamide
CID 54022593
1-[(1S)-1-(2,4-dimethylphenyl)ethyl]-3-(3-methylphenyl)urea
CID 27474756
(2S)-2-amino-N-[1-(2,4-dimethylphenyl)ethyl]propanamide
CID 61146836
1-(4-chlorophenyl)-3-[(1S)-1-(2,4-dimethylphenyl)ethyl]urea
CID 94841865
cis-(1R,2S)-N-[(1S)-1-(2,4-dimethylphenyl)ethyl]-2-methylcyclopropane-1-carboxamide
CID 11922138
1-[1-(2-methylphenyl)ethylcarbamoylamino]cyclobutane-1-carboxylic acid
CID 81163308
2-(2,4-dimethylphenyl)-N-[(1S)-1-(2,4-dimethylphenyl)ethyl]acetamide
CID 100749058
N-[(1R)-1-(2,4-dimethylphenyl)ethyl]-2-methylbenzamide
CID 28633869
(2S)-N-[(1S)-1-(2,4-dimethylphenyl)ethyl]-2-(4-methylphenoxy)propanamide
CID 30398925
1-[[1-(2,4-dimethylphenyl)ethylamino]methyl]cycloheptan-1-ol
CID 65122847

Frequently Asked Questions

What is the IUPAC name of 1-[(1R)-1-(2,4-dimethylphenyl)ethyl]-3-(1-methylcyclobutyl)urea?
The IUPAC name of 1-[(1R)-1-(2,4-dimethylphenyl)ethyl]-3-(1-methylcyclobutyl)urea (CID 125448403) is 1-[(1R)-1-(2,4-dimethylphenyl)ethyl]-3-(1-methylcyclobutyl)urea.
What is the SMILES notation for 1-[(1R)-1-(2,4-dimethylphenyl)ethyl]-3-(1-methylcyclobutyl)urea?
The canonical SMILES for 1-[(1R)-1-(2,4-dimethylphenyl)ethyl]-3-(1-methylcyclobutyl)urea is Cc1ccc([C@@H](C)NC(=O)NC2(C)CCC2)c(C)c1.
What is the InChIKey of 1-[(1R)-1-(2,4-dimethylphenyl)ethyl]-3-(1-methylcyclobutyl)urea?
The InChIKey is NWJNWGMPHMZHPI-CYBMUJFWSA-N. The full InChI is InChI=1S/C16H24N2O/c1-11-6-7-14(12(2)10-11)13(3)17-15(19)18-16(4)8-5-9-16/h6-7,10,13H,5,8-9H2,1-4H3,(H2,17,18,19)/t13-/m1/s1.
What are the key properties of 1-[(1R)-1-(2,4-dimethylphenyl)ethyl]-3-(1-methylcyclobutyl)urea?
1-[(1R)-1-(2,4-dimethylphenyl)ethyl]-3-(1-methylcyclobutyl)urea has a molecular weight of 260.38 g/mol, XLogP of 3.61, 3 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(1R)-1-(2,4-dimethylphenyl)ethyl]-3-(1-methylcyclobutyl)urea is sourced from PubChem (CID 125448403), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).