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

C14H21N3O2 — CID 108905907

IUPAC1-[2-(dimethylamino)ethyl]-3-[(E)-2-(3-methoxyphenyl)ethenyl]urea
SMILESCOc1cccc(/C=C/NC(=O)NCCN(C)C)c1
InChIInChI=1S/C14H21N3O2/c1-17(2)10-9-16-14(18)15-8-7-12-5-4-6-13(11-12)19-3/h4-8,11H,9-10H2,1-3H3,(H2,15,16,18)/b8-7+
InChIKeyWWQHCFKTGRFVHD-BQYQJAHWSA-N
MW263.34 g/mol
LogP1.53
Rot. Bonds6

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

1-[2-(dimethylamino)ethyl]-3-[(E)-2-(3-methoxyphenyl)ethenyl]urea (PubChem CID 108905907) has the molecular formula C14H21N3O2 and a molecular weight of 263.34 g/mol. Its IUPAC name is 1-[2-(dimethylamino)ethyl]-3-[(E)-2-(3-methoxyphenyl)ethenyl]urea.

Molecular Properties

Compound Name1-[2-(dimethylamino)ethyl]-3-[(E)-2-(3-methoxyphenyl)ethenyl]urea
PubChem CID108905907
Molecular FormulaC14H21N3O2
Molecular Weight263.34 g/mol
Exact Mass263.16
IUPAC Name1-[2-(dimethylamino)ethyl]-3-[(E)-2-(3-methoxyphenyl)ethenyl]urea
SMILESCOc1cccc(/C=C/NC(=O)NCCN(C)C)c1
InChIInChI=1S/C14H21N3O2/c1-17(2)10-9-16-14(18)15-8-7-12-5-4-6-13(11-12)19-3/h4-8,11H,9-10H2,1-3H3,(H2,15,16,18)/b8-7+
InChIKeyWWQHCFKTGRFVHD-BQYQJAHWSA-N
XLogP1.53
TPSA53.60 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.34
LogP ≤ 51.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

methyl 3-[[(E)-2-(3-methoxyphenyl)ethenyl]carbamoylamino]propanoate
CID 108905996
1-[(E)-2-(3-methoxyphenyl)ethenyl]-3-(3-phenylpropyl)urea
CID 108906032
1-[(E)-2-(3-methoxyphenyl)ethenyl]-3-[2-(2-methoxyphenyl)ethyl]urea
CID 108906013
1-[2-(2-fluorophenyl)ethyl]-3-[(E)-2-(3-methoxyphenyl)ethenyl]urea
CID 108906014
1-[(E)-2-(3-chlorophenyl)ethenyl]-3-[3-(dimethylamino)propyl]urea
CID 108906605
N-[(E)-2-(3-methoxyphenyl)ethenyl]benzamide
CID 146295261
1-benzhydryl-3-[(E)-2-(3-methoxyphenyl)ethenyl]urea
CID 108905741
1-(2-fluorophenyl)-3-[(E)-2-(3-methoxyphenyl)ethenyl]urea
CID 108905825
N-[2-(dimethylamino)ethyl]-4-(3-methoxyphenoxy)butanamide
CID 110486942
(Z)-5-(dimethylamino)-4-[(dimethylamino)methyl]-1-(3-methoxyphenyl)pent-1-en-3-one
CID 92858992
N-[2-(dimethylamino)ethyl]-N'-[(3-methoxyphenyl)methyl]oxamide
CID 44996182
1-(2-hydroxy-5-methylphenyl)-3-[(E)-2-(3-methoxyphenyl)ethenyl]urea
CID 108905842

Frequently Asked Questions

What is the IUPAC name of 1-[2-(dimethylamino)ethyl]-3-[(E)-2-(3-methoxyphenyl)ethenyl]urea?
The IUPAC name of 1-[2-(dimethylamino)ethyl]-3-[(E)-2-(3-methoxyphenyl)ethenyl]urea (CID 108905907) is 1-[2-(dimethylamino)ethyl]-3-[(E)-2-(3-methoxyphenyl)ethenyl]urea.
What is the SMILES notation for 1-[2-(dimethylamino)ethyl]-3-[(E)-2-(3-methoxyphenyl)ethenyl]urea?
The canonical SMILES for 1-[2-(dimethylamino)ethyl]-3-[(E)-2-(3-methoxyphenyl)ethenyl]urea is COc1cccc(/C=C/NC(=O)NCCN(C)C)c1.
What is the InChIKey of 1-[2-(dimethylamino)ethyl]-3-[(E)-2-(3-methoxyphenyl)ethenyl]urea?
The InChIKey is WWQHCFKTGRFVHD-BQYQJAHWSA-N. The full InChI is InChI=1S/C14H21N3O2/c1-17(2)10-9-16-14(18)15-8-7-12-5-4-6-13(11-12)19-3/h4-8,11H,9-10H2,1-3H3,(H2,15,16,18)/b8-7+.
What are the key properties of 1-[2-(dimethylamino)ethyl]-3-[(E)-2-(3-methoxyphenyl)ethenyl]urea?
1-[2-(dimethylamino)ethyl]-3-[(E)-2-(3-methoxyphenyl)ethenyl]urea has a molecular weight of 263.34 g/mol, XLogP of 1.53, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(dimethylamino)ethyl]-3-[(E)-2-(3-methoxyphenyl)ethenyl]urea is sourced from PubChem (CID 108905907), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).