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

C21H24N2O2 — CID 883336

IUPAC1-(4-acetylphenyl)-3-[2-(3-prop-1-en-2-ylphenyl)propan-2-yl]urea
SMILESC=C(C)c1cccc(C(C)(C)NC(=O)Nc2ccc(C(C)=O)cc2)c1
InChIInChI=1S/C21H24N2O2/c1-14(2)17-7-6-8-18(13-17)21(4,5)23-20(25)22-19-11-9-16(10-12-19)15(3)24/h6-13H,1H2,2-5H3,(H2,22,23,25)
InChIKeyKVPRBCIDOLBJJL-UHFFFAOYSA-N
MW336.44 g/mol
LogP4.98
Rot. Bonds5

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

1-(4-acetylphenyl)-3-[2-(3-prop-1-en-2-ylphenyl)propan-2-yl]urea (PubChem CID 883336) has the molecular formula C21H24N2O2 and a molecular weight of 336.44 g/mol. Its IUPAC name is 1-(4-acetylphenyl)-3-[2-(3-prop-1-en-2-ylphenyl)propan-2-yl]urea.

Molecular Properties

Compound Name1-(4-acetylphenyl)-3-[2-(3-prop-1-en-2-ylphenyl)propan-2-yl]urea
PubChem CID883336
Molecular FormulaC21H24N2O2
Molecular Weight336.44 g/mol
Exact Mass336.18
IUPAC Name1-(4-acetylphenyl)-3-[2-(3-prop-1-en-2-ylphenyl)propan-2-yl]urea
SMILESC=C(C)c1cccc(C(C)(C)NC(=O)Nc2ccc(C(C)=O)cc2)c1
InChIInChI=1S/C21H24N2O2/c1-14(2)17-7-6-8-18(13-17)21(4,5)23-20(25)22-19-11-9-16(10-12-19)15(3)24/h6-13H,1H2,2-5H3,(H2,22,23,25)
InChIKeyKVPRBCIDOLBJJL-UHFFFAOYSA-N
XLogP4.98
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.44
LogP ≤ 54.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-(4-acetylphenyl)-3-[2-(3-prop-1-en-2-ylphenyl)propan-2-yl]urea?
The IUPAC name of 1-(4-acetylphenyl)-3-[2-(3-prop-1-en-2-ylphenyl)propan-2-yl]urea (CID 883336) is 1-(4-acetylphenyl)-3-[2-(3-prop-1-en-2-ylphenyl)propan-2-yl]urea.
What is the SMILES notation for 1-(4-acetylphenyl)-3-[2-(3-prop-1-en-2-ylphenyl)propan-2-yl]urea?
The canonical SMILES for 1-(4-acetylphenyl)-3-[2-(3-prop-1-en-2-ylphenyl)propan-2-yl]urea is C=C(C)c1cccc(C(C)(C)NC(=O)Nc2ccc(C(C)=O)cc2)c1.
What is the InChIKey of 1-(4-acetylphenyl)-3-[2-(3-prop-1-en-2-ylphenyl)propan-2-yl]urea?
The InChIKey is KVPRBCIDOLBJJL-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24N2O2/c1-14(2)17-7-6-8-18(13-17)21(4,5)23-20(25)22-19-11-9-16(10-12-19)15(3)24/h6-13H,1H2,2-5H3,(H2,22,23,25).
What are the key properties of 1-(4-acetylphenyl)-3-[2-(3-prop-1-en-2-ylphenyl)propan-2-yl]urea?
1-(4-acetylphenyl)-3-[2-(3-prop-1-en-2-ylphenyl)propan-2-yl]urea has a molecular weight of 336.44 g/mol, XLogP of 4.98, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-acetylphenyl)-3-[2-(3-prop-1-en-2-ylphenyl)propan-2-yl]urea is sourced from PubChem (CID 883336), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).