1-methyl-1-[2-(4-methylphenoxy)ethyl]-3-prop-2-enylurea

C14H20N2O2 — CID 86912586

IUPAC1-methyl-1-[2-(4-methylphenoxy)ethyl]-3-prop-2-enylurea
SMILESC=CCNC(=O)N(C)CCOc1ccc(C)cc1
InChIInChI=1S/C14H20N2O2/c1-4-9-15-14(17)16(3)10-11-18-13-7-5-12(2)6-8-13/h4-8H,1,9-11H2,2-3H3,(H,15,17)
InChIKeyDSBLKSKDEHUMPW-UHFFFAOYSA-N
MW248.33 g/mol
LogP2.20
Rot. Bonds6

About 1-methyl-1-[2-(4-methylphenoxy)ethyl]-3-prop-2-enylurea

1-methyl-1-[2-(4-methylphenoxy)ethyl]-3-prop-2-enylurea (PubChem CID 86912586) has the molecular formula C14H20N2O2 and a molecular weight of 248.33 g/mol. Its IUPAC name is 1-methyl-1-[2-(4-methylphenoxy)ethyl]-3-prop-2-enylurea.

Molecular Properties

Compound Name1-methyl-1-[2-(4-methylphenoxy)ethyl]-3-prop-2-enylurea
PubChem CID86912586
Molecular FormulaC14H20N2O2
Molecular Weight248.33 g/mol
Exact Mass248.15
IUPAC Name1-methyl-1-[2-(4-methylphenoxy)ethyl]-3-prop-2-enylurea
SMILESC=CCNC(=O)N(C)CCOc1ccc(C)cc1
InChIInChI=1S/C14H20N2O2/c1-4-9-15-14(17)16(3)10-11-18-13-7-5-12(2)6-8-13/h4-8H,1,9-11H2,2-3H3,(H,15,17)
InChIKeyDSBLKSKDEHUMPW-UHFFFAOYSA-N
XLogP2.20
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.33
LogP ≤ 52.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

3-benzyl-1-methyl-1-[2-(4-methylphenoxy)ethyl]urea
CID 27533745
1-methyl-3-[(4-methylphenyl)methyl]-1-(2-phenoxyethyl)urea
CID 27517654
1-methyl-1-[2-(4-methylphenoxy)ethyl]-3-[[4-(methylsulfonylmethyl)phenyl]methyl]urea
CID 87034684
N-methyl-N-[2-(4-methylphenoxy)ethyl]benzamide
CID 60676178
2-amino-N-methyl-N-[2-(4-methylphenoxy)ethyl]acetamide
CID 60937297
3-acetamido-N-methyl-N-[2-(4-methylphenoxy)ethyl]propanamide
CID 47120479
1-methyl-3-[1-(5-methylfuran-2-yl)ethyl]-1-[2-(4-methylphenoxy)ethyl]urea
CID 87000120
4-iodo-N-methyl-N-[2-(4-methylphenoxy)ethyl]benzamide
CID 60676165
2-[(4,5-dimethyl-1,2,4-triazol-3-yl)methyl]-1-methyl-1-[2-(4-methylphenoxy)ethyl]-3-prop-2-enylguanidine
CID 111419239
2-amino-N-methyl-N-[2-(4-methylphenoxy)ethyl]propanamide
CID 54869918
1-methyl-1-[2-(4-methylphenoxy)ethyl]-3-[2-(4-methylpiperidin-1-yl)propyl]urea
CID 60597978
2-[2-(4-methylphenoxy)ethyl-prop-2-enylamino]acetic acid
CID 79276865

Frequently Asked Questions

What is the IUPAC name of 1-methyl-1-[2-(4-methylphenoxy)ethyl]-3-prop-2-enylurea?
The IUPAC name of 1-methyl-1-[2-(4-methylphenoxy)ethyl]-3-prop-2-enylurea (CID 86912586) is 1-methyl-1-[2-(4-methylphenoxy)ethyl]-3-prop-2-enylurea.
What is the SMILES notation for 1-methyl-1-[2-(4-methylphenoxy)ethyl]-3-prop-2-enylurea?
The canonical SMILES for 1-methyl-1-[2-(4-methylphenoxy)ethyl]-3-prop-2-enylurea is C=CCNC(=O)N(C)CCOc1ccc(C)cc1.
What is the InChIKey of 1-methyl-1-[2-(4-methylphenoxy)ethyl]-3-prop-2-enylurea?
The InChIKey is DSBLKSKDEHUMPW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2O2/c1-4-9-15-14(17)16(3)10-11-18-13-7-5-12(2)6-8-13/h4-8H,1,9-11H2,2-3H3,(H,15,17).
What are the key properties of 1-methyl-1-[2-(4-methylphenoxy)ethyl]-3-prop-2-enylurea?
1-methyl-1-[2-(4-methylphenoxy)ethyl]-3-prop-2-enylurea has a molecular weight of 248.33 g/mol, XLogP of 2.20, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-1-[2-(4-methylphenoxy)ethyl]-3-prop-2-enylurea is sourced from PubChem (CID 86912586), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).