1-ethyl-3-[(3-methoxyphenyl)methyl]-1-[(2-methylphenyl)methyl]urea

C19H24N2O2 — CID 86984495

IUPAC1-ethyl-3-[(3-methoxyphenyl)methyl]-1-[(2-methylphenyl)methyl]urea
SMILESCCN(Cc1ccccc1C)C(=O)NCc1cccc(OC)c1
InChIInChI=1S/C19H24N2O2/c1-4-21(14-17-10-6-5-8-15(17)2)19(22)20-13-16-9-7-11-18(12-16)23-3/h5-12H,4,13-14H2,1-3H3,(H,20,22)
InChIKeyHLOMKEMNUCNDBU-UHFFFAOYSA-N
MW312.41 g/mol
LogP3.74
Rot. Bonds6

About 1-ethyl-3-[(3-methoxyphenyl)methyl]-1-[(2-methylphenyl)methyl]urea

1-ethyl-3-[(3-methoxyphenyl)methyl]-1-[(2-methylphenyl)methyl]urea (PubChem CID 86984495) has the molecular formula C19H24N2O2 and a molecular weight of 312.41 g/mol. Its IUPAC name is 1-ethyl-3-[(3-methoxyphenyl)methyl]-1-[(2-methylphenyl)methyl]urea.

Molecular Properties

Compound Name1-ethyl-3-[(3-methoxyphenyl)methyl]-1-[(2-methylphenyl)methyl]urea
PubChem CID86984495
Molecular FormulaC19H24N2O2
Molecular Weight312.41 g/mol
Exact Mass312.18
IUPAC Name1-ethyl-3-[(3-methoxyphenyl)methyl]-1-[(2-methylphenyl)methyl]urea
SMILESCCN(Cc1ccccc1C)C(=O)NCc1cccc(OC)c1
InChIInChI=1S/C19H24N2O2/c1-4-21(14-17-10-6-5-8-15(17)2)19(22)20-13-16-9-7-11-18(12-16)23-3/h5-12H,4,13-14H2,1-3H3,(H,20,22)
InChIKeyHLOMKEMNUCNDBU-UHFFFAOYSA-N
XLogP3.74
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.41
LogP ≤ 53.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1,1-dibenzyl-3-[(3-methoxyphenyl)methyl]urea
CID 108898350
3-[(3-methoxyphenyl)methyl]-1-methyl-1-(naphthalen-1-ylmethyl)urea
CID 86999385
1-ethyl-3-[(3-methoxyphenyl)methyl]-1-(2-pyridin-4-ylethyl)urea
CID 108898368
N,N-diethyl-2-[(3-methoxyphenyl)methylamino]acetamide
CID 60690684
2-(N-ethyl-2-methylanilino)-N-[(3-methoxyphenyl)methyl]acetamide
CID 78821752
1-[(2-fluorophenyl)methyl]-3-[(3-methoxyphenyl)methyl]-1-methylurea
CID 38148280
N-[(3-methoxyphenyl)methyl]-2-naphthalen-1-ylacetamide
CID 2086540
1-(3-methoxyphenyl)-3-(2-methylphenyl)propan-2-one
CID 61263840
3-[(3-methoxyphenyl)methyl]-1-methyl-1-[(3-methylthiophen-2-yl)methyl]urea
CID 27517905
2-[(3-methoxyphenyl)methylcarbamoyl-methylamino]acetic acid
CID 54910960
1-benzyl-3-[(3-chlorophenyl)methyl]-1-ethylurea
CID 110301185
2-(2,6-dimethylphenoxy)-N-[(3-methoxyphenyl)methyl]acetamide
CID 9495693

Frequently Asked Questions

What is the IUPAC name of 1-ethyl-3-[(3-methoxyphenyl)methyl]-1-[(2-methylphenyl)methyl]urea?
The IUPAC name of 1-ethyl-3-[(3-methoxyphenyl)methyl]-1-[(2-methylphenyl)methyl]urea (CID 86984495) is 1-ethyl-3-[(3-methoxyphenyl)methyl]-1-[(2-methylphenyl)methyl]urea.
What is the SMILES notation for 1-ethyl-3-[(3-methoxyphenyl)methyl]-1-[(2-methylphenyl)methyl]urea?
The canonical SMILES for 1-ethyl-3-[(3-methoxyphenyl)methyl]-1-[(2-methylphenyl)methyl]urea is CCN(Cc1ccccc1C)C(=O)NCc1cccc(OC)c1.
What is the InChIKey of 1-ethyl-3-[(3-methoxyphenyl)methyl]-1-[(2-methylphenyl)methyl]urea?
The InChIKey is HLOMKEMNUCNDBU-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24N2O2/c1-4-21(14-17-10-6-5-8-15(17)2)19(22)20-13-16-9-7-11-18(12-16)23-3/h5-12H,4,13-14H2,1-3H3,(H,20,22).
What are the key properties of 1-ethyl-3-[(3-methoxyphenyl)methyl]-1-[(2-methylphenyl)methyl]urea?
1-ethyl-3-[(3-methoxyphenyl)methyl]-1-[(2-methylphenyl)methyl]urea has a molecular weight of 312.41 g/mol, XLogP of 3.74, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-3-[(3-methoxyphenyl)methyl]-1-[(2-methylphenyl)methyl]urea is sourced from PubChem (CID 86984495), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).