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

C18H23N3O2 — CID 108901015

IUPAC1-[3-(dimethylamino)phenyl]-3-[2-(3-methoxyphenyl)ethyl]urea
SMILESCOc1cccc(CCNC(=O)Nc2cccc(N(C)C)c2)c1
InChIInChI=1S/C18H23N3O2/c1-21(2)16-8-5-7-15(13-16)20-18(22)19-11-10-14-6-4-9-17(12-14)23-3/h4-9,12-13H,10-11H2,1-3H3,(H2,19,20,22)
InChIKeyVHKUPTCGTWNBLX-UHFFFAOYSA-N
MW313.40 g/mol
LogP3.13
Rot. Bonds6

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

1-[3-(dimethylamino)phenyl]-3-[2-(3-methoxyphenyl)ethyl]urea (PubChem CID 108901015) has the molecular formula C18H23N3O2 and a molecular weight of 313.40 g/mol. Its IUPAC name is 1-[3-(dimethylamino)phenyl]-3-[2-(3-methoxyphenyl)ethyl]urea.

Molecular Properties

Compound Name1-[3-(dimethylamino)phenyl]-3-[2-(3-methoxyphenyl)ethyl]urea
PubChem CID108901015
Molecular FormulaC18H23N3O2
Molecular Weight313.40 g/mol
Exact Mass313.18
IUPAC Name1-[3-(dimethylamino)phenyl]-3-[2-(3-methoxyphenyl)ethyl]urea
SMILESCOc1cccc(CCNC(=O)Nc2cccc(N(C)C)c2)c1
InChIInChI=1S/C18H23N3O2/c1-21(2)16-8-5-7-15(13-16)20-18(22)19-11-10-14-6-4-9-17(12-14)23-3/h4-9,12-13H,10-11H2,1-3H3,(H2,19,20,22)
InChIKeyVHKUPTCGTWNBLX-UHFFFAOYSA-N
XLogP3.13
TPSA53.60 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.40
LogP ≤ 53.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

methyl 3-[2-(3-methoxyphenyl)ethylcarbamoylamino]benzoate
CID 4999432
1-(3-methoxyphenyl)-3-(2-pyridin-4-ylethyl)urea
CID 5297462
1-[3-(dimethylamino)phenyl]-3-(4-methoxyphenyl)urea
CID 108866355
1-(2,6-difluorophenyl)-3-[2-(3-methoxyphenyl)ethyl]urea
CID 108900965
1-[2-(3-methoxyphenyl)ethyl]-3-pyridin-2-ylurea
CID 47248692
1-(2,5-dimethoxyphenyl)-3-[2-(3-methoxyphenyl)ethyl]urea
CID 23880823
1-(3-methoxyphenyl)-3-[2-(2-methylphenyl)ethyl]urea
CID 42029830
1-(3-methoxyphenyl)-3-[3-(N-methylanilino)propyl]urea
CID 51290296
N-[2-(3-methoxyphenyl)ethyl]-N'-phenyloxamide
CID 44892117
1-[2-(3-methoxyphenyl)ethyl]-3-(2-sulfanylphenyl)urea
CID 108886567
methyl 3-[2-(3-methoxyphenyl)ethylcarbamoylamino]propanoate
CID 108901083
1-(2-chloro-6-fluorophenyl)-3-[2-(3-methoxyphenyl)ethyl]urea
CID 108896691

Frequently Asked Questions

What is the IUPAC name of 1-[3-(dimethylamino)phenyl]-3-[2-(3-methoxyphenyl)ethyl]urea?
The IUPAC name of 1-[3-(dimethylamino)phenyl]-3-[2-(3-methoxyphenyl)ethyl]urea (CID 108901015) is 1-[3-(dimethylamino)phenyl]-3-[2-(3-methoxyphenyl)ethyl]urea.
What is the SMILES notation for 1-[3-(dimethylamino)phenyl]-3-[2-(3-methoxyphenyl)ethyl]urea?
The canonical SMILES for 1-[3-(dimethylamino)phenyl]-3-[2-(3-methoxyphenyl)ethyl]urea is COc1cccc(CCNC(=O)Nc2cccc(N(C)C)c2)c1.
What is the InChIKey of 1-[3-(dimethylamino)phenyl]-3-[2-(3-methoxyphenyl)ethyl]urea?
The InChIKey is VHKUPTCGTWNBLX-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23N3O2/c1-21(2)16-8-5-7-15(13-16)20-18(22)19-11-10-14-6-4-9-17(12-14)23-3/h4-9,12-13H,10-11H2,1-3H3,(H2,19,20,22).
What are the key properties of 1-[3-(dimethylamino)phenyl]-3-[2-(3-methoxyphenyl)ethyl]urea?
1-[3-(dimethylamino)phenyl]-3-[2-(3-methoxyphenyl)ethyl]urea has a molecular weight of 313.40 g/mol, XLogP of 3.13, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(dimethylamino)phenyl]-3-[2-(3-methoxyphenyl)ethyl]urea is sourced from PubChem (CID 108901015), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).