1-[(4-ethoxy-2,5-dimethylphenyl)methyl]-3-propan-2-ylurea

C15H24N2O2 — CID 110774931

IUPAC1-[(4-ethoxy-2,5-dimethylphenyl)methyl]-3-propan-2-ylurea
SMILESCCOc1cc(C)c(CNC(=O)NC(C)C)cc1C
InChIInChI=1S/C15H24N2O2/c1-6-19-14-8-11(4)13(7-12(14)5)9-16-15(18)17-10(2)3/h7-8,10H,6,9H2,1-5H3,(H2,16,17,18)
InChIKeyRKFFXFRBUSRYTD-UHFFFAOYSA-N
MW264.37 g/mol
LogP2.91
Rot. Bonds5

About 1-[(4-ethoxy-2,5-dimethylphenyl)methyl]-3-propan-2-ylurea

1-[(4-ethoxy-2,5-dimethylphenyl)methyl]-3-propan-2-ylurea (PubChem CID 110774931) has the molecular formula C15H24N2O2 and a molecular weight of 264.37 g/mol. Its IUPAC name is 1-[(4-ethoxy-2,5-dimethylphenyl)methyl]-3-propan-2-ylurea.

Molecular Properties

Compound Name1-[(4-ethoxy-2,5-dimethylphenyl)methyl]-3-propan-2-ylurea
PubChem CID110774931
Molecular FormulaC15H24N2O2
Molecular Weight264.37 g/mol
Exact Mass264.18
IUPAC Name1-[(4-ethoxy-2,5-dimethylphenyl)methyl]-3-propan-2-ylurea
SMILESCCOc1cc(C)c(CNC(=O)NC(C)C)cc1C
InChIInChI=1S/C15H24N2O2/c1-6-19-14-8-11(4)13(7-12(14)5)9-16-15(18)17-10(2)3/h7-8,10H,6,9H2,1-5H3,(H2,16,17,18)
InChIKeyRKFFXFRBUSRYTD-UHFFFAOYSA-N
XLogP2.91
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.37
LogP ≤ 52.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

ethyl N-[(4-ethoxy-2,5-dimethylphenyl)methyl]carbamate
CID 110780864
1-[(2-ethoxyphenyl)methyl]-3-propan-2-ylurea
CID 47375969
1-[(2,5-dimethylphenyl)methyl]-3-propan-2-ylurea
CID 110774794
1-ethoxy-4-ethyl-2,5-dimethylbenzene
CID 84761080
1-(4-ethoxy-3-methylphenyl)-3-propan-2-ylurea
CID 47417327
1-[(7-methyl-2,3-dihydro-1,4-benzodioxin-6-yl)methyl]-3-propan-2-ylurea
CID 110775217
N-[(5-chloro-4-ethoxy-2-methylphenyl)methyl]acetamide
CID 110781893
N-[(4-ethoxy-2-methyl-5-propan-2-ylphenyl)methyl]ethanamine
CID 82552738
ethyl 2-[(4-methoxy-2,5-dimethylphenyl)methylamino]-2-oxoacetate
CID 115141968
1-[(5-ethyl-2-methoxyphenyl)methyl]-3-propan-2-ylurea
CID 110775027
methyl 3-amino-4-(4-ethoxy-2,5-dimethylphenyl)butanoate
CID 82351673
2-(2,5-diethoxy-4-methylphenyl)acetic acid
CID 4286018

Frequently Asked Questions

What is the IUPAC name of 1-[(4-ethoxy-2,5-dimethylphenyl)methyl]-3-propan-2-ylurea?
The IUPAC name of 1-[(4-ethoxy-2,5-dimethylphenyl)methyl]-3-propan-2-ylurea (CID 110774931) is 1-[(4-ethoxy-2,5-dimethylphenyl)methyl]-3-propan-2-ylurea.
What is the SMILES notation for 1-[(4-ethoxy-2,5-dimethylphenyl)methyl]-3-propan-2-ylurea?
The canonical SMILES for 1-[(4-ethoxy-2,5-dimethylphenyl)methyl]-3-propan-2-ylurea is CCOc1cc(C)c(CNC(=O)NC(C)C)cc1C.
What is the InChIKey of 1-[(4-ethoxy-2,5-dimethylphenyl)methyl]-3-propan-2-ylurea?
The InChIKey is RKFFXFRBUSRYTD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N2O2/c1-6-19-14-8-11(4)13(7-12(14)5)9-16-15(18)17-10(2)3/h7-8,10H,6,9H2,1-5H3,(H2,16,17,18).
What are the key properties of 1-[(4-ethoxy-2,5-dimethylphenyl)methyl]-3-propan-2-ylurea?
1-[(4-ethoxy-2,5-dimethylphenyl)methyl]-3-propan-2-ylurea has a molecular weight of 264.37 g/mol, XLogP of 2.91, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(4-ethoxy-2,5-dimethylphenyl)methyl]-3-propan-2-ylurea is sourced from PubChem (CID 110774931), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).