1-[2-(3-chloro-6-methoxy-2,4-dimethylphenyl)ethyl]-3-propan-2-ylurea

C15H23ClN2O2 — CID 110775927

IUPAC1-[2-(3-chloro-6-methoxy-2,4-dimethylphenyl)ethyl]-3-propan-2-ylurea
SMILESCOc1cc(C)c(Cl)c(C)c1CCNC(=O)NC(C)C
InChIInChI=1S/C15H23ClN2O2/c1-9(2)18-15(19)17-7-6-12-11(4)14(16)10(3)8-13(12)20-5/h8-9H,6-7H2,1-5H3,(H2,17,18,19)
InChIKeyUCZABUUWLCWINY-UHFFFAOYSA-N
MW298.81 g/mol
LogP3.22
Rot. Bonds5

About 1-[2-(3-chloro-6-methoxy-2,4-dimethylphenyl)ethyl]-3-propan-2-ylurea

1-[2-(3-chloro-6-methoxy-2,4-dimethylphenyl)ethyl]-3-propan-2-ylurea (PubChem CID 110775927) has the molecular formula C15H23ClN2O2 and a molecular weight of 298.81 g/mol. Its IUPAC name is 1-[2-(3-chloro-6-methoxy-2,4-dimethylphenyl)ethyl]-3-propan-2-ylurea.

Molecular Properties

Compound Name1-[2-(3-chloro-6-methoxy-2,4-dimethylphenyl)ethyl]-3-propan-2-ylurea
PubChem CID110775927
Molecular FormulaC15H23ClN2O2
Molecular Weight298.81 g/mol
Exact Mass298.14
IUPAC Name1-[2-(3-chloro-6-methoxy-2,4-dimethylphenyl)ethyl]-3-propan-2-ylurea
SMILESCOc1cc(C)c(Cl)c(C)c1CCNC(=O)NC(C)C
InChIInChI=1S/C15H23ClN2O2/c1-9(2)18-15(19)17-7-6-12-11(4)14(16)10(3)8-13(12)20-5/h8-9H,6-7H2,1-5H3,(H2,17,18,19)
InChIKeyUCZABUUWLCWINY-UHFFFAOYSA-N
XLogP3.22
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.81
LogP ≤ 53.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

1-[2-(3-chloro-6-methoxy-2,4-dimethylphenyl)ethylamino]propan-2-ol
CID 112513727
ethyl N-[(3-chloro-6-methoxy-2,4-dimethylphenyl)methyl]carbamate
CID 110782966
N-[2-(3-chloro-6-methoxy-2,4-dimethylphenyl)ethyl]methanesulfonamide
CID 110789568
N'-[2-(3-chloro-6-methoxy-2,4-dimethylphenyl)ethyl]ethane-1,2-diamine
CID 115195431
3-[(3-chloro-6-methoxy-2,4-dimethylphenyl)methylamino]propanoic acid
CID 98033447
4-(3-chloro-6-methoxy-2,4-dimethylphenyl)-2-methylbutan-2-ol
CID 82482793
2-(3-chloro-6-methoxy-2,4-dimethylphenyl)-N-[3-(dimethylamino)propyl]acetamide
CID 110769484
2-(4-methoxy-2,3,6-trimethylphenyl)ethylurea
CID 115168578
3-(3-chloro-6-methoxy-2,4-dimethylphenyl)propanethioamide
CID 83938122
1-[1-(4-methoxy-2-methyl-5-propan-2-ylphenyl)ethyl]-3-propylurea
CID 133217631
2-(2-methoxy-4,6-dimethylphenyl)ethylcarbamic acid
CID 115171165
2-chloro-4-(chloromethyl)-1-methoxy-3,5-dimethylbenzene
CID 22754053

Frequently Asked Questions

What is the IUPAC name of 1-[2-(3-chloro-6-methoxy-2,4-dimethylphenyl)ethyl]-3-propan-2-ylurea?
The IUPAC name of 1-[2-(3-chloro-6-methoxy-2,4-dimethylphenyl)ethyl]-3-propan-2-ylurea (CID 110775927) is 1-[2-(3-chloro-6-methoxy-2,4-dimethylphenyl)ethyl]-3-propan-2-ylurea.
What is the SMILES notation for 1-[2-(3-chloro-6-methoxy-2,4-dimethylphenyl)ethyl]-3-propan-2-ylurea?
The canonical SMILES for 1-[2-(3-chloro-6-methoxy-2,4-dimethylphenyl)ethyl]-3-propan-2-ylurea is COc1cc(C)c(Cl)c(C)c1CCNC(=O)NC(C)C.
What is the InChIKey of 1-[2-(3-chloro-6-methoxy-2,4-dimethylphenyl)ethyl]-3-propan-2-ylurea?
The InChIKey is UCZABUUWLCWINY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23ClN2O2/c1-9(2)18-15(19)17-7-6-12-11(4)14(16)10(3)8-13(12)20-5/h8-9H,6-7H2,1-5H3,(H2,17,18,19).
What are the key properties of 1-[2-(3-chloro-6-methoxy-2,4-dimethylphenyl)ethyl]-3-propan-2-ylurea?
1-[2-(3-chloro-6-methoxy-2,4-dimethylphenyl)ethyl]-3-propan-2-ylurea has a molecular weight of 298.81 g/mol, XLogP of 3.22, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(3-chloro-6-methoxy-2,4-dimethylphenyl)ethyl]-3-propan-2-ylurea is sourced from PubChem (CID 110775927), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).