3-[4-(diethylamino)-2-methoxyphenyl]-1,1-bis(2-hydroxyethyl)urea

C16H27N3O4 — CID 91733734

IUPAC3-[4-(diethylamino)-2-methoxyphenyl]-1,1-bis(2-hydroxyethyl)urea
SMILESCCN(CC)c1ccc(NC(=O)N(CCO)CCO)c(OC)c1
InChIInChI=1S/C16H27N3O4/c1-4-18(5-2)13-6-7-14(15(12-13)23-3)17-16(22)19(8-10-20)9-11-21/h6-7,12,20-21H,4-5,8-11H2,1-3H3,(H,17,22)
InChIKeyLVLFVNXTULQCFI-UHFFFAOYSA-N
MW325.41 g/mol
LogP1.36
Rot. Bonds9

About 3-[4-(diethylamino)-2-methoxyphenyl]-1,1-bis(2-hydroxyethyl)urea

3-[4-(diethylamino)-2-methoxyphenyl]-1,1-bis(2-hydroxyethyl)urea (PubChem CID 91733734) has the molecular formula C16H27N3O4 and a molecular weight of 325.41 g/mol. Its IUPAC name is 3-[4-(diethylamino)-2-methoxyphenyl]-1,1-bis(2-hydroxyethyl)urea.

Molecular Properties

Compound Name3-[4-(diethylamino)-2-methoxyphenyl]-1,1-bis(2-hydroxyethyl)urea
PubChem CID91733734
Molecular FormulaC16H27N3O4
Molecular Weight325.41 g/mol
Exact Mass325.20
IUPAC Name3-[4-(diethylamino)-2-methoxyphenyl]-1,1-bis(2-hydroxyethyl)urea
SMILESCCN(CC)c1ccc(NC(=O)N(CCO)CCO)c(OC)c1
InChIInChI=1S/C16H27N3O4/c1-4-18(5-2)13-6-7-14(15(12-13)23-3)17-16(22)19(8-10-20)9-11-21/h6-7,12,20-21H,4-5,8-11H2,1-3H3,(H,17,22)
InChIKeyLVLFVNXTULQCFI-UHFFFAOYSA-N
XLogP1.36
TPSA85.27 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.41
LogP ≤ 51.36
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

[4-(diethylamino)-2-methoxyanilino]methanesulfonic acid
CID 23471226
4-(diethylamino)-N-(2,4-dimethoxyphenyl)benzamide
CID 9120164
3-(5-bromo-2-methoxyphenyl)-1-(2-hydroxyethyl)-1-propylurea
CID 110902709
3-[4-(aminomethyl)-2-methoxyphenyl]-1,1-diethylurea
CID 104848503
ethane;2-(N-ethyl-3,4-dimethoxyanilino)ethanol
CID 142222447
3-(4-cyano-2-methoxyphenyl)-1,1-diethylurea
CID 104844636
N-[4-(diethylamino)-2-methylphenyl]-2-(2,4-dimethoxyanilino)acetamide
CID 109009543
[5-(diethylamino)-2-[[2-methoxyethyl-[(2-methoxyphenyl)carbamoyl]amino]methyl]phenyl] ethanesulfonate
CID 83282578
N-[4-(diethylcarbamoylamino)-2-methoxyphenyl]acetamide
CID 47222814
N-(5-chloro-2-methoxyphenyl)-N'-ethyl-N'-(2-hydroxyethyl)oxamide
CID 47336209
3-(3,5-dimethoxyphenyl)-1-ethyl-1-(2-hydroxyethyl)urea
CID 108869470
N-[4-(diethylamino)phenyl]-N'-ethyl-N'-(2-hydroxyethyl)oxamide
CID 108525164

Frequently Asked Questions

What is the IUPAC name of 3-[4-(diethylamino)-2-methoxyphenyl]-1,1-bis(2-hydroxyethyl)urea?
The IUPAC name of 3-[4-(diethylamino)-2-methoxyphenyl]-1,1-bis(2-hydroxyethyl)urea (CID 91733734) is 3-[4-(diethylamino)-2-methoxyphenyl]-1,1-bis(2-hydroxyethyl)urea.
What is the SMILES notation for 3-[4-(diethylamino)-2-methoxyphenyl]-1,1-bis(2-hydroxyethyl)urea?
The canonical SMILES for 3-[4-(diethylamino)-2-methoxyphenyl]-1,1-bis(2-hydroxyethyl)urea is CCN(CC)c1ccc(NC(=O)N(CCO)CCO)c(OC)c1.
What is the InChIKey of 3-[4-(diethylamino)-2-methoxyphenyl]-1,1-bis(2-hydroxyethyl)urea?
The InChIKey is LVLFVNXTULQCFI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H27N3O4/c1-4-18(5-2)13-6-7-14(15(12-13)23-3)17-16(22)19(8-10-20)9-11-21/h6-7,12,20-21H,4-5,8-11H2,1-3H3,(H,17,22).
What are the key properties of 3-[4-(diethylamino)-2-methoxyphenyl]-1,1-bis(2-hydroxyethyl)urea?
3-[4-(diethylamino)-2-methoxyphenyl]-1,1-bis(2-hydroxyethyl)urea has a molecular weight of 325.41 g/mol, XLogP of 1.36, 9 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-(diethylamino)-2-methoxyphenyl]-1,1-bis(2-hydroxyethyl)urea is sourced from PubChem (CID 91733734), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).