1-benzyl-3-[2-(dimethylamino)-2-(2-methoxyphenyl)ethyl]urea

C19H25N3O2 — CID 24664488

IUPAC1-benzyl-3-[2-(dimethylamino)-2-(2-methoxyphenyl)ethyl]urea
SMILESCOc1ccccc1C(CNC(=O)NCc1ccccc1)N(C)C
InChIInChI=1S/C19H25N3O2/c1-22(2)17(16-11-7-8-12-18(16)24-3)14-21-19(23)20-13-15-9-5-4-6-10-15/h4-12,17H,13-14H2,1-3H3,(H2,20,21,23)
InChIKeyZOVVBBKKWNLVLN-UHFFFAOYSA-N
MW327.43 g/mol
LogP2.80
Rot. Bonds7

About 1-benzyl-3-[2-(dimethylamino)-2-(2-methoxyphenyl)ethyl]urea

1-benzyl-3-[2-(dimethylamino)-2-(2-methoxyphenyl)ethyl]urea (PubChem CID 24664488) has the molecular formula C19H25N3O2 and a molecular weight of 327.43 g/mol. Its IUPAC name is 1-benzyl-3-[2-(dimethylamino)-2-(2-methoxyphenyl)ethyl]urea.

Molecular Properties

Compound Name1-benzyl-3-[2-(dimethylamino)-2-(2-methoxyphenyl)ethyl]urea
PubChem CID24664488
Molecular FormulaC19H25N3O2
Molecular Weight327.43 g/mol
Exact Mass327.19
IUPAC Name1-benzyl-3-[2-(dimethylamino)-2-(2-methoxyphenyl)ethyl]urea
SMILESCOc1ccccc1C(CNC(=O)NCc1ccccc1)N(C)C
InChIInChI=1S/C19H25N3O2/c1-22(2)17(16-11-7-8-12-18(16)24-3)14-21-19(23)20-13-15-9-5-4-6-10-15/h4-12,17H,13-14H2,1-3H3,(H2,20,21,23)
InChIKeyZOVVBBKKWNLVLN-UHFFFAOYSA-N
XLogP2.80
TPSA53.60 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.43
LogP ≤ 52.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-benzyl-3-[(2R)-2-(dimethylamino)-2-phenylethyl]urea
CID 32838068
1-[2-(dimethylamino)-2-(2-methoxyphenyl)ethyl]-3-[(5-methyl-1,2-oxazol-3-yl)methyl]urea
CID 47760357
N-[(2R)-2-(dimethylamino)-2-(2-methoxyphenyl)ethyl]benzamide
CID 31308885
1-[2-(dimethylamino)-2-(2-methoxyphenyl)ethyl]-3-[[3-[(2-oxopyrrolidin-1-yl)methyl]phenyl]methyl]urea
CID 78881617
1-[2-(dimethylamino)-2-(2-methoxyphenyl)ethyl]-3-naphthalen-1-ylurea
CID 17470191
1-[(2R)-2-(dimethylamino)-2-(2-methoxyphenyl)ethyl]-3-(2-fluorophenyl)urea
CID 41036483
N-[2-(dimethylamino)-2-(2-methoxyphenyl)ethyl]-2-methoxybenzamide;hydrochloride
CID 52985226
N-[2-(dimethylamino)-2-(2-methoxyphenyl)ethyl]-2-hydroxybenzamide
CID 78799517
N-[2-(dimethylamino)-2-(2-methoxyphenyl)ethyl]-2-methyl-2-phenylpropanamide
CID 134057259
1-[(4-chlorophenyl)methyl]-3-[2-methoxy-2-(2-methoxyphenyl)ethyl]urea
CID 90598282
1-(3-chlorophenyl)-3-[2-(dimethylamino)-2-(2-methoxyphenyl)ethyl]urea
CID 24528854
4-tert-butyl-N-[(2S)-2-(dimethylamino)-2-(2-methoxyphenyl)ethyl]benzamide
CID 31322515

Frequently Asked Questions

What is the IUPAC name of 1-benzyl-3-[2-(dimethylamino)-2-(2-methoxyphenyl)ethyl]urea?
The IUPAC name of 1-benzyl-3-[2-(dimethylamino)-2-(2-methoxyphenyl)ethyl]urea (CID 24664488) is 1-benzyl-3-[2-(dimethylamino)-2-(2-methoxyphenyl)ethyl]urea.
What is the SMILES notation for 1-benzyl-3-[2-(dimethylamino)-2-(2-methoxyphenyl)ethyl]urea?
The canonical SMILES for 1-benzyl-3-[2-(dimethylamino)-2-(2-methoxyphenyl)ethyl]urea is COc1ccccc1C(CNC(=O)NCc1ccccc1)N(C)C.
What is the InChIKey of 1-benzyl-3-[2-(dimethylamino)-2-(2-methoxyphenyl)ethyl]urea?
The InChIKey is ZOVVBBKKWNLVLN-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25N3O2/c1-22(2)17(16-11-7-8-12-18(16)24-3)14-21-19(23)20-13-15-9-5-4-6-10-15/h4-12,17H,13-14H2,1-3H3,(H2,20,21,23).
What are the key properties of 1-benzyl-3-[2-(dimethylamino)-2-(2-methoxyphenyl)ethyl]urea?
1-benzyl-3-[2-(dimethylamino)-2-(2-methoxyphenyl)ethyl]urea has a molecular weight of 327.43 g/mol, XLogP of 2.80, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzyl-3-[2-(dimethylamino)-2-(2-methoxyphenyl)ethyl]urea is sourced from PubChem (CID 24664488), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).