1,1-diethyl-3-[(2-methoxyphenyl)methyl]-3-methylurea

C14H22N2O2 — CID 113233571

IUPAC1,1-diethyl-3-[(2-methoxyphenyl)methyl]-3-methylurea
SMILESCCN(CC)C(=O)N(C)Cc1ccccc1OC
InChIInChI=1S/C14H22N2O2/c1-5-16(6-2)14(17)15(3)11-12-9-7-8-10-13(12)18-4/h7-10H,5-6,11H2,1-4H3
InChIKeyDYAPCNHCIDKQAX-UHFFFAOYSA-N
MW250.34 g/mol
LogP2.59
Rot. Bonds5

About 1,1-diethyl-3-[(2-methoxyphenyl)methyl]-3-methylurea

1,1-diethyl-3-[(2-methoxyphenyl)methyl]-3-methylurea (PubChem CID 113233571) has the molecular formula C14H22N2O2 and a molecular weight of 250.34 g/mol. Its IUPAC name is 1,1-diethyl-3-[(2-methoxyphenyl)methyl]-3-methylurea.

Molecular Properties

Compound Name1,1-diethyl-3-[(2-methoxyphenyl)methyl]-3-methylurea
PubChem CID113233571
Molecular FormulaC14H22N2O2
Molecular Weight250.34 g/mol
Exact Mass250.17
IUPAC Name1,1-diethyl-3-[(2-methoxyphenyl)methyl]-3-methylurea
SMILESCCN(CC)C(=O)N(C)Cc1ccccc1OC
InChIInChI=1S/C14H22N2O2/c1-5-16(6-2)14(17)15(3)11-12-9-7-8-10-13(12)18-4/h7-10H,5-6,11H2,1-4H3
InChIKeyDYAPCNHCIDKQAX-UHFFFAOYSA-N
XLogP2.59
TPSA32.78 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.34
LogP ≤ 52.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

N-[(2-methoxyphenyl)methyl]-N-methylpropanamide
CID 60630949
2-amino-N-[(2-methoxyphenyl)methyl]-N-methylacetamide
CID 60718962
N-[2-(diethylamino)-2-oxoethyl]-2-(2-methoxyphenyl)-N-methylacetamide
CID 134049675
3-[(2-methoxyphenyl)methyl-methylamino]-3-oxopropanoic acid
CID 62232246
2,2,2-trifluoro-N-[(2-methoxyphenyl)methyl]-N-methylacetamide
CID 62735211
N-acetyl-N-[(2-methoxyphenyl)methyl]acetamide
CID 91715642
2,6-dihydroxy-N-[(2-methoxyphenyl)methyl]-N-methylbenzamide
CID 103748911
N-ethyl-N-[(2-methoxyphenyl)methyl]-4-methylbenzamide
CID 123310577
(2R)-2-(2-ethylphenoxy)-N-[(2-methoxyphenyl)methyl]-N-methylpropanamide
CID 92672742
2-[[4-amino-5-[2-(diethylamino)-2-oxoethyl]sulfanyl-1,2,4-triazol-3-yl]sulfanyl]-N-[(2-methoxyphenyl)methyl]-N-methylacetamide
CID 55357693
N-ethyl-N-(2-hydroxy-2-methylpropyl)-2-(2-methoxyphenyl)acetamide
CID 79381674
3-(ethylamino)-N-[(2-methoxyphenyl)methyl]-N-methylbutanamide
CID 55121106

Frequently Asked Questions

What is the IUPAC name of 1,1-diethyl-3-[(2-methoxyphenyl)methyl]-3-methylurea?
The IUPAC name of 1,1-diethyl-3-[(2-methoxyphenyl)methyl]-3-methylurea (CID 113233571) is 1,1-diethyl-3-[(2-methoxyphenyl)methyl]-3-methylurea.
What is the SMILES notation for 1,1-diethyl-3-[(2-methoxyphenyl)methyl]-3-methylurea?
The canonical SMILES for 1,1-diethyl-3-[(2-methoxyphenyl)methyl]-3-methylurea is CCN(CC)C(=O)N(C)Cc1ccccc1OC.
What is the InChIKey of 1,1-diethyl-3-[(2-methoxyphenyl)methyl]-3-methylurea?
The InChIKey is DYAPCNHCIDKQAX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2O2/c1-5-16(6-2)14(17)15(3)11-12-9-7-8-10-13(12)18-4/h7-10H,5-6,11H2,1-4H3.
What are the key properties of 1,1-diethyl-3-[(2-methoxyphenyl)methyl]-3-methylurea?
1,1-diethyl-3-[(2-methoxyphenyl)methyl]-3-methylurea has a molecular weight of 250.34 g/mol, XLogP of 2.59, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1-diethyl-3-[(2-methoxyphenyl)methyl]-3-methylurea is sourced from PubChem (CID 113233571), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).