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

C14H23N3O2 — CID 110911020

IUPAC3-[[3-(dimethylamino)phenyl]methyl]-1-ethyl-1-(2-hydroxyethyl)urea
SMILESCCN(CCO)C(=O)NCc1cccc(N(C)C)c1
InChIInChI=1S/C14H23N3O2/c1-4-17(8-9-18)14(19)15-11-12-6-5-7-13(10-12)16(2)3/h5-7,10,18H,4,8-9,11H2,1-3H3,(H,15,19)
InChIKeyZBBVAOXNFPTECZ-UHFFFAOYSA-N
MW265.36 g/mol
LogP1.28
Rot. Bonds6

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

3-[[3-(dimethylamino)phenyl]methyl]-1-ethyl-1-(2-hydroxyethyl)urea (PubChem CID 110911020) has the molecular formula C14H23N3O2 and a molecular weight of 265.36 g/mol. Its IUPAC name is 3-[[3-(dimethylamino)phenyl]methyl]-1-ethyl-1-(2-hydroxyethyl)urea.

Molecular Properties

Compound Name3-[[3-(dimethylamino)phenyl]methyl]-1-ethyl-1-(2-hydroxyethyl)urea
PubChem CID110911020
Molecular FormulaC14H23N3O2
Molecular Weight265.36 g/mol
Exact Mass265.18
IUPAC Name3-[[3-(dimethylamino)phenyl]methyl]-1-ethyl-1-(2-hydroxyethyl)urea
SMILESCCN(CCO)C(=O)NCc1cccc(N(C)C)c1
InChIInChI=1S/C14H23N3O2/c1-4-17(8-9-18)14(19)15-11-12-6-5-7-13(10-12)16(2)3/h5-7,10,18H,4,8-9,11H2,1-3H3,(H,15,19)
InChIKeyZBBVAOXNFPTECZ-UHFFFAOYSA-N
XLogP1.28
TPSA55.81 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.36
LogP ≤ 51.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-[[3-(dimethylamino)phenyl]methyl]-1-methyl-1-[(2S)-4-methylpentan-2-yl]urea
CID 52505037
1-ethyl-1-(2-hydroxyethyl)-3-[(4-hydroxyphenyl)methyl]urea
CID 110895646
3-[(3-chlorophenyl)methyl]-1,1-bis(2-hydroxyethyl)urea
CID 108898653
N-[3-[[[ethyl(2-hydroxyethyl)carbamoyl]amino]methyl]phenyl]-2-pyrazol-1-ylacetamide
CID 87037168
3-[(4-tert-butylphenyl)methyl]-1-ethyl-1-(2-hydroxyethyl)urea
CID 110910290
1-butyl-3-[(3-chlorophenyl)methyl]-1-(2-hydroxyethyl)urea
CID 110894614
N-[[3-(dimethylamino)phenyl]methyl]-3-oxobutanamide
CID 110470657
1-ethyl-3-[(2-ethylphenyl)methyl]-1-(2-hydroxyethyl)urea
CID 111455825
3-[(4-ethoxyphenyl)methyl]-1-ethyl-1-(2-hydroxyethyl)urea
CID 108884453
1-(2-hydroxyethyl)-3-[(3-nitrophenyl)methyl]-1-propylurea
CID 110908555
1-ethyl-1-(2-hydroxyethyl)-3-[(2-methylphenyl)methyl]urea
CID 108897193
1-(2-hydroxyethyl)-3-[(3-methylphenyl)methyl]-1-prop-2-enylurea
CID 111424149

Frequently Asked Questions

What is the IUPAC name of 3-[[3-(dimethylamino)phenyl]methyl]-1-ethyl-1-(2-hydroxyethyl)urea?
The IUPAC name of 3-[[3-(dimethylamino)phenyl]methyl]-1-ethyl-1-(2-hydroxyethyl)urea (CID 110911020) is 3-[[3-(dimethylamino)phenyl]methyl]-1-ethyl-1-(2-hydroxyethyl)urea.
What is the SMILES notation for 3-[[3-(dimethylamino)phenyl]methyl]-1-ethyl-1-(2-hydroxyethyl)urea?
The canonical SMILES for 3-[[3-(dimethylamino)phenyl]methyl]-1-ethyl-1-(2-hydroxyethyl)urea is CCN(CCO)C(=O)NCc1cccc(N(C)C)c1.
What is the InChIKey of 3-[[3-(dimethylamino)phenyl]methyl]-1-ethyl-1-(2-hydroxyethyl)urea?
The InChIKey is ZBBVAOXNFPTECZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23N3O2/c1-4-17(8-9-18)14(19)15-11-12-6-5-7-13(10-12)16(2)3/h5-7,10,18H,4,8-9,11H2,1-3H3,(H,15,19).
What are the key properties of 3-[[3-(dimethylamino)phenyl]methyl]-1-ethyl-1-(2-hydroxyethyl)urea?
3-[[3-(dimethylamino)phenyl]methyl]-1-ethyl-1-(2-hydroxyethyl)urea has a molecular weight of 265.36 g/mol, XLogP of 1.28, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[3-(dimethylamino)phenyl]methyl]-1-ethyl-1-(2-hydroxyethyl)urea is sourced from PubChem (CID 110911020), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).