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

C23H30N2O3 — CID 110290964

IUPAC1-[2-hydroxy-2-(3-methoxyphenyl)ethyl]-1-methyl-3-[2-(3-prop-1-en-2-ylphenyl)propan-2-yl]urea
SMILESC=C(C)c1cccc(C(C)(C)NC(=O)N(C)CC(O)c2cccc(OC)c2)c1
InChIInChI=1S/C23H30N2O3/c1-16(2)17-9-7-11-19(13-17)23(3,4)24-22(27)25(5)15-21(26)18-10-8-12-20(14-18)28-6/h7-14,21,26H,1,15H2,2-6H3,(H,24,27)
InChIKeyGJIPCVJMDXWEAT-UHFFFAOYSA-N
MW382.50 g/mol
LogP4.34
Rot. Bonds7

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

1-[2-hydroxy-2-(3-methoxyphenyl)ethyl]-1-methyl-3-[2-(3-prop-1-en-2-ylphenyl)propan-2-yl]urea (PubChem CID 110290964) has the molecular formula C23H30N2O3 and a molecular weight of 382.50 g/mol. Its IUPAC name is 1-[2-hydroxy-2-(3-methoxyphenyl)ethyl]-1-methyl-3-[2-(3-prop-1-en-2-ylphenyl)propan-2-yl]urea.

Molecular Properties

Compound Name1-[2-hydroxy-2-(3-methoxyphenyl)ethyl]-1-methyl-3-[2-(3-prop-1-en-2-ylphenyl)propan-2-yl]urea
PubChem CID110290964
Molecular FormulaC23H30N2O3
Molecular Weight382.50 g/mol
Exact Mass382.23
IUPAC Name1-[2-hydroxy-2-(3-methoxyphenyl)ethyl]-1-methyl-3-[2-(3-prop-1-en-2-ylphenyl)propan-2-yl]urea
SMILESC=C(C)c1cccc(C(C)(C)NC(=O)N(C)CC(O)c2cccc(OC)c2)c1
InChIInChI=1S/C23H30N2O3/c1-16(2)17-9-7-11-19(13-17)23(3,4)24-22(27)25(5)15-21(26)18-10-8-12-20(14-18)28-6/h7-14,21,26H,1,15H2,2-6H3,(H,24,27)
InChIKeyGJIPCVJMDXWEAT-UHFFFAOYSA-N
XLogP4.34
TPSA61.80 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.50
LogP ≤ 54.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-methyl-3-[2-(3-prop-1-en-2-ylphenyl)propan-2-yl]-1-[(2,3,4-trimethoxyphenyl)methyl]urea
CID 4854199
3-[2-(3-prop-1-en-2-ylphenyl)propan-2-ylcarbamoyloxy]propyl N-[2-(3-propan-2-ylphenyl)propan-2-yl]carbamate
CID 154536141
methyl 3-[[2-hydroxy-2-(3-methoxyphenyl)ethyl]-methylamino]propanoate
CID 78966550
3-tert-butyl-N-[2-hydroxy-2-(3-methoxyphenyl)ethyl]-N-methylimidazo[1,5-a]pyridine-1-carboxamide
CID 110629556
(4R)-4-hydroxy-4-(3-methoxyphenyl)butan-2-one
CID 101411477
1-benzoyl-N-[2-hydroxy-2-(3-methoxyphenyl)ethyl]-N-methylpiperidine-4-carboxamide
CID 110308753
N-[2-hydroxy-2-(3-methoxyphenyl)ethyl]-4-methoxy-N-methyl-3-methylsulfonylbenzamide
CID 110629557
(E)-N-[2-hydroxy-2-(3-methoxyphenyl)ethyl]-N,2-dimethyl-3-thiophen-2-ylprop-2-enamide
CID 110308754
1-[[2-hydroxy-2-(3-methoxyphenyl)ethyl]-methylamino]-3-methoxypropan-2-ol
CID 79006411
4-[[[2-hydroxy-2-(3-methoxyphenyl)ethyl]-methylamino]methyl]-N-methylbenzamide
CID 111379069
2,3,4-trifluoro-N-[2-hydroxy-2-(3-methoxyphenyl)ethyl]-N-methyl-5-nitrobenzamide
CID 110313641
N-tert-butyl-2-[1-(3-methoxyphenyl)ethylamino]propanamide
CID 115588995

Frequently Asked Questions

What is the IUPAC name of 1-[2-hydroxy-2-(3-methoxyphenyl)ethyl]-1-methyl-3-[2-(3-prop-1-en-2-ylphenyl)propan-2-yl]urea?
The IUPAC name of 1-[2-hydroxy-2-(3-methoxyphenyl)ethyl]-1-methyl-3-[2-(3-prop-1-en-2-ylphenyl)propan-2-yl]urea (CID 110290964) is 1-[2-hydroxy-2-(3-methoxyphenyl)ethyl]-1-methyl-3-[2-(3-prop-1-en-2-ylphenyl)propan-2-yl]urea.
What is the SMILES notation for 1-[2-hydroxy-2-(3-methoxyphenyl)ethyl]-1-methyl-3-[2-(3-prop-1-en-2-ylphenyl)propan-2-yl]urea?
The canonical SMILES for 1-[2-hydroxy-2-(3-methoxyphenyl)ethyl]-1-methyl-3-[2-(3-prop-1-en-2-ylphenyl)propan-2-yl]urea is C=C(C)c1cccc(C(C)(C)NC(=O)N(C)CC(O)c2cccc(OC)c2)c1.
What is the InChIKey of 1-[2-hydroxy-2-(3-methoxyphenyl)ethyl]-1-methyl-3-[2-(3-prop-1-en-2-ylphenyl)propan-2-yl]urea?
The InChIKey is GJIPCVJMDXWEAT-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H30N2O3/c1-16(2)17-9-7-11-19(13-17)23(3,4)24-22(27)25(5)15-21(26)18-10-8-12-20(14-18)28-6/h7-14,21,26H,1,15H2,2-6H3,(H,24,27).
What are the key properties of 1-[2-hydroxy-2-(3-methoxyphenyl)ethyl]-1-methyl-3-[2-(3-prop-1-en-2-ylphenyl)propan-2-yl]urea?
1-[2-hydroxy-2-(3-methoxyphenyl)ethyl]-1-methyl-3-[2-(3-prop-1-en-2-ylphenyl)propan-2-yl]urea has a molecular weight of 382.50 g/mol, XLogP of 4.34, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-hydroxy-2-(3-methoxyphenyl)ethyl]-1-methyl-3-[2-(3-prop-1-en-2-ylphenyl)propan-2-yl]urea is sourced from PubChem (CID 110290964), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).