1-[2-(dimethylamino)ethyl]-3-[4-(1-hydroxyethyl)phenyl]-1-methylurea

C14H23N3O2 — CID 63699163

IUPAC1-[2-(dimethylamino)ethyl]-3-[4-(1-hydroxyethyl)phenyl]-1-methylurea
SMILESCC(O)c1ccc(NC(=O)N(C)CCN(C)C)cc1
InChIInChI=1S/C14H23N3O2/c1-11(18)12-5-7-13(8-6-12)15-14(19)17(4)10-9-16(2)3/h5-8,11,18H,9-10H2,1-4H3,(H,15,19)
InChIKeyVCGRVGQWQHZARG-UHFFFAOYSA-N
MW265.36 g/mol
LogP1.77
Rot. Bonds5

About 1-[2-(dimethylamino)ethyl]-3-[4-(1-hydroxyethyl)phenyl]-1-methylurea

1-[2-(dimethylamino)ethyl]-3-[4-(1-hydroxyethyl)phenyl]-1-methylurea (PubChem CID 63699163) has the molecular formula C14H23N3O2 and a molecular weight of 265.36 g/mol. Its IUPAC name is 1-[2-(dimethylamino)ethyl]-3-[4-(1-hydroxyethyl)phenyl]-1-methylurea.

Molecular Properties

Compound Name1-[2-(dimethylamino)ethyl]-3-[4-(1-hydroxyethyl)phenyl]-1-methylurea
PubChem CID63699163
Molecular FormulaC14H23N3O2
Molecular Weight265.36 g/mol
Exact Mass265.18
IUPAC Name1-[2-(dimethylamino)ethyl]-3-[4-(1-hydroxyethyl)phenyl]-1-methylurea
SMILESCC(O)c1ccc(NC(=O)N(C)CCN(C)C)cc1
InChIInChI=1S/C14H23N3O2/c1-11(18)12-5-7-13(8-6-12)15-14(19)17(4)10-9-16(2)3/h5-8,11,18H,9-10H2,1-4H3,(H,15,19)
InChIKeyVCGRVGQWQHZARG-UHFFFAOYSA-N
XLogP1.77
TPSA55.81 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.36
LogP ≤ 51.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-[4-(1-hydroxyethyl)phenyl]-1-methyl-1-(2-propan-2-yloxyethyl)urea
CID 81062388
3-[4-(1-hydroxyethyl)phenyl]-1-methyl-1-propan-2-ylurea
CID 61347436
3-[4-(1-hydroxyethyl)phenyl]-1-methyl-1-(thiophen-3-ylmethyl)urea
CID 61341427
3-[4-(1-aminoethyl)phenyl]-1-butyl-1-methylurea
CID 61340181
3-[4-(1-hydroxyethyl)phenyl]-1-methyl-1-[(4-methyl-1,3-thiazol-5-yl)methyl]urea
CID 63836669
3-[4-(1-aminoethyl)phenyl]-1-methyl-1-pentylurea
CID 61341488
3-[4-(1-hydroxyethyl)phenyl]-1-methyl-1-(oxan-2-ylmethyl)urea
CID 61433968
3-(4-tert-butylphenyl)-1-(3-hydroxybutyl)-1-methylurea
CID 111578802
3-(4-ethylphenyl)-1-(3-hydroxybutyl)-1-methylurea
CID 111578837
1-cyclopropyl-3-[4-(1-hydroxyethyl)phenyl]-1-(2-methoxyethyl)urea
CID 61455441
1-methyl-3-[4-[1-(methylamino)ethyl]phenyl]-1-(2-propan-2-yloxyethyl)urea
CID 81043795
3-[4-[1-(ethylamino)ethyl]phenyl]-1-(2-hydroxypropyl)-1-methylurea
CID 62338403

Frequently Asked Questions

What is the IUPAC name of 1-[2-(dimethylamino)ethyl]-3-[4-(1-hydroxyethyl)phenyl]-1-methylurea?
The IUPAC name of 1-[2-(dimethylamino)ethyl]-3-[4-(1-hydroxyethyl)phenyl]-1-methylurea (CID 63699163) is 1-[2-(dimethylamino)ethyl]-3-[4-(1-hydroxyethyl)phenyl]-1-methylurea.
What is the SMILES notation for 1-[2-(dimethylamino)ethyl]-3-[4-(1-hydroxyethyl)phenyl]-1-methylurea?
The canonical SMILES for 1-[2-(dimethylamino)ethyl]-3-[4-(1-hydroxyethyl)phenyl]-1-methylurea is CC(O)c1ccc(NC(=O)N(C)CCN(C)C)cc1.
What is the InChIKey of 1-[2-(dimethylamino)ethyl]-3-[4-(1-hydroxyethyl)phenyl]-1-methylurea?
The InChIKey is VCGRVGQWQHZARG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23N3O2/c1-11(18)12-5-7-13(8-6-12)15-14(19)17(4)10-9-16(2)3/h5-8,11,18H,9-10H2,1-4H3,(H,15,19).
What are the key properties of 1-[2-(dimethylamino)ethyl]-3-[4-(1-hydroxyethyl)phenyl]-1-methylurea?
1-[2-(dimethylamino)ethyl]-3-[4-(1-hydroxyethyl)phenyl]-1-methylurea has a molecular weight of 265.36 g/mol, XLogP of 1.77, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(dimethylamino)ethyl]-3-[4-(1-hydroxyethyl)phenyl]-1-methylurea is sourced from PubChem (CID 63699163), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).