1-[(4-methoxyphenyl)methyl]-3-[2-(3-prop-1-en-2-ylphenyl)propan-2-yl]urea

C21H26N2O2 — CID 753408

IUPAC1-[(4-methoxyphenyl)methyl]-3-[2-(3-prop-1-en-2-ylphenyl)propan-2-yl]urea
SMILESC=C(C)c1cccc(C(C)(C)NC(=O)NCc2ccc(OC)cc2)c1
InChIInChI=1S/C21H26N2O2/c1-15(2)17-7-6-8-18(13-17)21(3,4)23-20(24)22-14-16-9-11-19(25-5)12-10-16/h6-13H,1,14H2,2-5H3,(H2,22,23,24)
InChIKeyMOUCHMIMVZAXBS-UHFFFAOYSA-N
MW338.45 g/mol
LogP4.46
Rot. Bonds6

About 1-[(4-methoxyphenyl)methyl]-3-[2-(3-prop-1-en-2-ylphenyl)propan-2-yl]urea

1-[(4-methoxyphenyl)methyl]-3-[2-(3-prop-1-en-2-ylphenyl)propan-2-yl]urea (PubChem CID 753408) has the molecular formula C21H26N2O2 and a molecular weight of 338.45 g/mol. Its IUPAC name is 1-[(4-methoxyphenyl)methyl]-3-[2-(3-prop-1-en-2-ylphenyl)propan-2-yl]urea.

Molecular Properties

Compound Name1-[(4-methoxyphenyl)methyl]-3-[2-(3-prop-1-en-2-ylphenyl)propan-2-yl]urea
PubChem CID753408
Molecular FormulaC21H26N2O2
Molecular Weight338.45 g/mol
Exact Mass338.20
IUPAC Name1-[(4-methoxyphenyl)methyl]-3-[2-(3-prop-1-en-2-ylphenyl)propan-2-yl]urea
SMILESC=C(C)c1cccc(C(C)(C)NC(=O)NCc2ccc(OC)cc2)c1
InChIInChI=1S/C21H26N2O2/c1-15(2)17-7-6-8-18(13-17)21(3,4)23-20(24)22-14-16-9-11-19(25-5)12-10-16/h6-13H,1,14H2,2-5H3,(H2,22,23,24)
InChIKeyMOUCHMIMVZAXBS-UHFFFAOYSA-N
XLogP4.46
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.45
LogP ≤ 54.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-[(4-methoxyphenyl)methyl]-3-[2-(3-prop-1-en-2-ylphenyl)propan-2-yl]urea?
The IUPAC name of 1-[(4-methoxyphenyl)methyl]-3-[2-(3-prop-1-en-2-ylphenyl)propan-2-yl]urea (CID 753408) is 1-[(4-methoxyphenyl)methyl]-3-[2-(3-prop-1-en-2-ylphenyl)propan-2-yl]urea.
What is the SMILES notation for 1-[(4-methoxyphenyl)methyl]-3-[2-(3-prop-1-en-2-ylphenyl)propan-2-yl]urea?
The canonical SMILES for 1-[(4-methoxyphenyl)methyl]-3-[2-(3-prop-1-en-2-ylphenyl)propan-2-yl]urea is C=C(C)c1cccc(C(C)(C)NC(=O)NCc2ccc(OC)cc2)c1.
What is the InChIKey of 1-[(4-methoxyphenyl)methyl]-3-[2-(3-prop-1-en-2-ylphenyl)propan-2-yl]urea?
The InChIKey is MOUCHMIMVZAXBS-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26N2O2/c1-15(2)17-7-6-8-18(13-17)21(3,4)23-20(24)22-14-16-9-11-19(25-5)12-10-16/h6-13H,1,14H2,2-5H3,(H2,22,23,24).
What are the key properties of 1-[(4-methoxyphenyl)methyl]-3-[2-(3-prop-1-en-2-ylphenyl)propan-2-yl]urea?
1-[(4-methoxyphenyl)methyl]-3-[2-(3-prop-1-en-2-ylphenyl)propan-2-yl]urea has a molecular weight of 338.45 g/mol, XLogP of 4.46, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(4-methoxyphenyl)methyl]-3-[2-(3-prop-1-en-2-ylphenyl)propan-2-yl]urea is sourced from PubChem (CID 753408), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).