1-(2,5-dimethoxyphenyl)-3-[2-(3-prop-1-en-2-ylphenyl)propan-2-yl]urea

C21H26N2O3 — CID 1371293

IUPAC1-(2,5-dimethoxyphenyl)-3-[2-(3-prop-1-en-2-ylphenyl)propan-2-yl]urea
SMILESC=C(C)c1cccc(C(C)(C)NC(=O)Nc2cc(OC)ccc2OC)c1
InChIInChI=1S/C21H26N2O3/c1-14(2)15-8-7-9-16(12-15)21(3,4)23-20(24)22-18-13-17(25-5)10-11-19(18)26-6/h7-13H,1H2,2-6H3,(H2,22,23,24)
InChIKeyWBGUJFBENVEKRX-UHFFFAOYSA-N
MW354.45 g/mol
LogP4.79
Rot. Bonds6

About 1-(2,5-dimethoxyphenyl)-3-[2-(3-prop-1-en-2-ylphenyl)propan-2-yl]urea

1-(2,5-dimethoxyphenyl)-3-[2-(3-prop-1-en-2-ylphenyl)propan-2-yl]urea (PubChem CID 1371293) has the molecular formula C21H26N2O3 and a molecular weight of 354.45 g/mol. Its IUPAC name is 1-(2,5-dimethoxyphenyl)-3-[2-(3-prop-1-en-2-ylphenyl)propan-2-yl]urea.

Molecular Properties

Compound Name1-(2,5-dimethoxyphenyl)-3-[2-(3-prop-1-en-2-ylphenyl)propan-2-yl]urea
PubChem CID1371293
Molecular FormulaC21H26N2O3
Molecular Weight354.45 g/mol
Exact Mass354.19
IUPAC Name1-(2,5-dimethoxyphenyl)-3-[2-(3-prop-1-en-2-ylphenyl)propan-2-yl]urea
SMILESC=C(C)c1cccc(C(C)(C)NC(=O)Nc2cc(OC)ccc2OC)c1
InChIInChI=1S/C21H26N2O3/c1-14(2)15-8-7-9-16(12-15)21(3,4)23-20(24)22-18-13-17(25-5)10-11-19(18)26-6/h7-13H,1H2,2-6H3,(H2,22,23,24)
InChIKeyWBGUJFBENVEKRX-UHFFFAOYSA-N
XLogP4.79
TPSA59.59 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.45
LogP ≤ 54.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-(3,4-dimethylphenyl)-3-[2-(3-prop-1-en-2-ylphenyl)propan-2-yl]urea
CID 118001195
1-[2-(3-prop-1-en-2-ylphenyl)propan-2-yl]-3-pyrimidin-2-ylurea
CID 2312275
3-[2-(3-prop-1-en-2-ylphenyl)propan-2-ylcarbamoylamino]benzamide
CID 89031587
N-(2,5-dimethoxyphenyl)-3-(trifluoromethyl)benzamide
CID 531811
4-[2-(3-prop-1-en-2-ylphenyl)propan-2-ylcarbamoylamino]benzamide
CID 788063
1-(2,5-diethoxy-4-morpholin-4-ylphenyl)-3-[2-(3-prop-1-en-2-ylphenyl)propan-2-yl]urea
CID 2900241
3-[(2,5-dimethoxyphenyl)carbamoylamino]-3-methylbutanoic acid
CID 64700824
N-(2,5-dimethoxyphenyl)-2-methyl-2-phenylpropanamide
CID 13309485
7-methoxy-4-oxo-N-[2-(3-prop-1-en-2-ylphenyl)propan-2-yl]-2,3-dihydroquinoline-1-carboxamide
CID 110635638
1-(9,10-dioxoanthracen-2-yl)-3-[2-(3-prop-1-en-2-ylphenyl)propan-2-yl]urea
CID 59816790
1-[4-(difluoromethylsulfanyl)phenyl]-3-[2-(3-prop-1-en-2-ylphenyl)propan-2-yl]urea
CID 2308142
1-[2-hydroxy-2-(3-methoxyphenyl)ethyl]-1-methyl-3-[2-(3-prop-1-en-2-ylphenyl)propan-2-yl]urea
CID 110290964

Frequently Asked Questions

What is the IUPAC name of 1-(2,5-dimethoxyphenyl)-3-[2-(3-prop-1-en-2-ylphenyl)propan-2-yl]urea?
The IUPAC name of 1-(2,5-dimethoxyphenyl)-3-[2-(3-prop-1-en-2-ylphenyl)propan-2-yl]urea (CID 1371293) is 1-(2,5-dimethoxyphenyl)-3-[2-(3-prop-1-en-2-ylphenyl)propan-2-yl]urea.
What is the SMILES notation for 1-(2,5-dimethoxyphenyl)-3-[2-(3-prop-1-en-2-ylphenyl)propan-2-yl]urea?
The canonical SMILES for 1-(2,5-dimethoxyphenyl)-3-[2-(3-prop-1-en-2-ylphenyl)propan-2-yl]urea is C=C(C)c1cccc(C(C)(C)NC(=O)Nc2cc(OC)ccc2OC)c1.
What is the InChIKey of 1-(2,5-dimethoxyphenyl)-3-[2-(3-prop-1-en-2-ylphenyl)propan-2-yl]urea?
The InChIKey is WBGUJFBENVEKRX-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26N2O3/c1-14(2)15-8-7-9-16(12-15)21(3,4)23-20(24)22-18-13-17(25-5)10-11-19(18)26-6/h7-13H,1H2,2-6H3,(H2,22,23,24).
What are the key properties of 1-(2,5-dimethoxyphenyl)-3-[2-(3-prop-1-en-2-ylphenyl)propan-2-yl]urea?
1-(2,5-dimethoxyphenyl)-3-[2-(3-prop-1-en-2-ylphenyl)propan-2-yl]urea has a molecular weight of 354.45 g/mol, XLogP of 4.79, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,5-dimethoxyphenyl)-3-[2-(3-prop-1-en-2-ylphenyl)propan-2-yl]urea is sourced from PubChem (CID 1371293), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).