1-[2-(4-methoxyphenyl)ethyl]-1-methyl-3-(3-methylbutyl)urea

C16H26N2O2 — CID 110307112

IUPAC1-[2-(4-methoxyphenyl)ethyl]-1-methyl-3-(3-methylbutyl)urea
SMILESCOc1ccc(CCN(C)C(=O)NCCC(C)C)cc1
InChIInChI=1S/C16H26N2O2/c1-13(2)9-11-17-16(19)18(3)12-10-14-5-7-15(20-4)8-6-14/h5-8,13H,9-12H2,1-4H3,(H,17,19)
InChIKeyHYPSHADLCYVMSP-UHFFFAOYSA-N
MW278.40 g/mol
LogP2.93
Rot. Bonds7

About 1-[2-(4-methoxyphenyl)ethyl]-1-methyl-3-(3-methylbutyl)urea

1-[2-(4-methoxyphenyl)ethyl]-1-methyl-3-(3-methylbutyl)urea (PubChem CID 110307112) has the molecular formula C16H26N2O2 and a molecular weight of 278.40 g/mol. Its IUPAC name is 1-[2-(4-methoxyphenyl)ethyl]-1-methyl-3-(3-methylbutyl)urea.

Molecular Properties

Compound Name1-[2-(4-methoxyphenyl)ethyl]-1-methyl-3-(3-methylbutyl)urea
PubChem CID110307112
Molecular FormulaC16H26N2O2
Molecular Weight278.40 g/mol
Exact Mass278.20
IUPAC Name1-[2-(4-methoxyphenyl)ethyl]-1-methyl-3-(3-methylbutyl)urea
SMILESCOc1ccc(CCN(C)C(=O)NCCC(C)C)cc1
InChIInChI=1S/C16H26N2O2/c1-13(2)9-11-17-16(19)18(3)12-10-14-5-7-15(20-4)8-6-14/h5-8,13H,9-12H2,1-4H3,(H,17,19)
InChIKeyHYPSHADLCYVMSP-UHFFFAOYSA-N
XLogP2.93
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.40
LogP ≤ 52.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-[2-hydroxy-2-(4-methoxyphenyl)ethyl]-1-methyl-3-(3-methylbutyl)urea
CID 110308848
1-[3-(4-methoxyphenyl)propyl]-3-(3-methylbutyl)urea
CID 110307723
1-[4-(4-methoxyphenyl)butyl]-3-(3-methylbutyl)urea
CID 110307825
5-(4-methoxyphenyl)-N-(3-methylbutyl)pentanamide
CID 110297852
2-[[[2-(4-methoxyphenyl)ethylamino]-(3-methylbutylamino)methylidene]amino]-N,N-dimethylacetamide
CID 111494788
3-cyclopropyl-1-[2-(4-methoxyphenyl)ethyl]-1-methylurea
CID 110307110
2-(4-methoxyphenoxy)-N-(3-methylbutyl)propanamide
CID 21173373
3-[2-[4-(4-methoxyphenyl)butan-2-ylamino]ethyl]-1,1-dimethylurea
CID 83107943
1-[2-(4-methoxyphenyl)ethyl]-1-methylurea
CID 115168599
3,5-dimethoxy-N-[2-(4-methoxyphenyl)ethyl]-N-methylbenzamide
CID 110287948
1-[(1R)-1-(4-chlorophenyl)ethyl]-3-[2-(4-methoxyphenyl)ethyl]-1-methylurea
CID 51935182
3-[2-(4-methoxyphenyl)ethyl-(2-methylpropyl)amino]propanoic acid
CID 82328947

Frequently Asked Questions

What is the IUPAC name of 1-[2-(4-methoxyphenyl)ethyl]-1-methyl-3-(3-methylbutyl)urea?
The IUPAC name of 1-[2-(4-methoxyphenyl)ethyl]-1-methyl-3-(3-methylbutyl)urea (CID 110307112) is 1-[2-(4-methoxyphenyl)ethyl]-1-methyl-3-(3-methylbutyl)urea.
What is the SMILES notation for 1-[2-(4-methoxyphenyl)ethyl]-1-methyl-3-(3-methylbutyl)urea?
The canonical SMILES for 1-[2-(4-methoxyphenyl)ethyl]-1-methyl-3-(3-methylbutyl)urea is COc1ccc(CCN(C)C(=O)NCCC(C)C)cc1.
What is the InChIKey of 1-[2-(4-methoxyphenyl)ethyl]-1-methyl-3-(3-methylbutyl)urea?
The InChIKey is HYPSHADLCYVMSP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N2O2/c1-13(2)9-11-17-16(19)18(3)12-10-14-5-7-15(20-4)8-6-14/h5-8,13H,9-12H2,1-4H3,(H,17,19).
What are the key properties of 1-[2-(4-methoxyphenyl)ethyl]-1-methyl-3-(3-methylbutyl)urea?
1-[2-(4-methoxyphenyl)ethyl]-1-methyl-3-(3-methylbutyl)urea has a molecular weight of 278.40 g/mol, XLogP of 2.93, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(4-methoxyphenyl)ethyl]-1-methyl-3-(3-methylbutyl)urea is sourced from PubChem (CID 110307112), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).