1-[2-(dimethylamino)ethyl]-1-ethyl-3-[(1S)-1-(4-hydroxyphenyl)ethyl]urea

C15H25N3O2 — CID 125443345

IUPAC1-[2-(dimethylamino)ethyl]-1-ethyl-3-[(1S)-1-(4-hydroxyphenyl)ethyl]urea
SMILESCCN(CCN(C)C)C(=O)N[C@@H](C)c1ccc(O)cc1
InChIInChI=1S/C15H25N3O2/c1-5-18(11-10-17(3)4)15(20)16-12(2)13-6-8-14(19)9-7-13/h6-9,12,19H,5,10-11H2,1-4H3,(H,16,20)/t12-/m0/s1
InChIKeyJZMDLTBETAOVJM-LBPRGKRZSA-N
MW279.38 g/mol
LogP2.05
Rot. Bonds6

About 1-[2-(dimethylamino)ethyl]-1-ethyl-3-[(1S)-1-(4-hydroxyphenyl)ethyl]urea

1-[2-(dimethylamino)ethyl]-1-ethyl-3-[(1S)-1-(4-hydroxyphenyl)ethyl]urea (PubChem CID 125443345) has the molecular formula C15H25N3O2 and a molecular weight of 279.38 g/mol. Its IUPAC name is 1-[2-(dimethylamino)ethyl]-1-ethyl-3-[(1S)-1-(4-hydroxyphenyl)ethyl]urea.

Molecular Properties

Compound Name1-[2-(dimethylamino)ethyl]-1-ethyl-3-[(1S)-1-(4-hydroxyphenyl)ethyl]urea
PubChem CID125443345
Molecular FormulaC15H25N3O2
Molecular Weight279.38 g/mol
Exact Mass279.19
IUPAC Name1-[2-(dimethylamino)ethyl]-1-ethyl-3-[(1S)-1-(4-hydroxyphenyl)ethyl]urea
SMILESCCN(CCN(C)C)C(=O)N[C@@H](C)c1ccc(O)cc1
InChIInChI=1S/C15H25N3O2/c1-5-18(11-10-17(3)4)15(20)16-12(2)13-6-8-14(19)9-7-13/h6-9,12,19H,5,10-11H2,1-4H3,(H,16,20)/t12-/m0/s1
InChIKeyJZMDLTBETAOVJM-LBPRGKRZSA-N
XLogP2.05
TPSA55.81 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.38
LogP ≤ 52.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-ethyl-1-(2-hydroxyethyl)-3-[1-(4-phenylphenyl)ethyl]urea
CID 110894923
1,1-diethyl-3-[1-(4-methoxyphenyl)ethyl]urea
CID 115598127
1,1-diethyl-3-[(1R)-1-(4-sulfamoylphenyl)ethyl]urea
CID 129375380
1-[2-(dimethylamino)ethyl]-1-ethyl-3-[(1R)-1-(2-ethyl-1,2,4-triazol-3-yl)ethyl]urea
CID 125435125
3-[ethyl-[1-(4-fluorophenyl)ethylcarbamoyl]amino]-2-methylpropanoic acid
CID 62853029
3-[ethyl-[1-(4-methylphenyl)ethylcarbamoyl]amino]-2-methylpropanoic acid
CID 62851777
[(1R)-1-(4-hydroxyphenyl)ethyl]carbamic acid
CID 69395015
[(1S)-1-(4-hydroxyphenyl)ethyl]carbamic acid
CID 69394441
3-[1-(4-chlorophenyl)ethyl]-1-ethyl-1-methylurea
CID 115603907
1-ethyl-3-[1-(4-fluorophenyl)ethyl]-1-methylurea
CID 115603501
3-[1-(4-chlorophenyl)ethylcarbamoyl-ethylamino]-2-methylpropanoic acid
CID 62853388
3-[1-(3-chloro-4-fluorophenyl)ethyl]-1-ethyl-1-(2-hydroxyethyl)urea
CID 110904151

Frequently Asked Questions

What is the IUPAC name of 1-[2-(dimethylamino)ethyl]-1-ethyl-3-[(1S)-1-(4-hydroxyphenyl)ethyl]urea?
The IUPAC name of 1-[2-(dimethylamino)ethyl]-1-ethyl-3-[(1S)-1-(4-hydroxyphenyl)ethyl]urea (CID 125443345) is 1-[2-(dimethylamino)ethyl]-1-ethyl-3-[(1S)-1-(4-hydroxyphenyl)ethyl]urea.
What is the SMILES notation for 1-[2-(dimethylamino)ethyl]-1-ethyl-3-[(1S)-1-(4-hydroxyphenyl)ethyl]urea?
The canonical SMILES for 1-[2-(dimethylamino)ethyl]-1-ethyl-3-[(1S)-1-(4-hydroxyphenyl)ethyl]urea is CCN(CCN(C)C)C(=O)N[C@@H](C)c1ccc(O)cc1.
What is the InChIKey of 1-[2-(dimethylamino)ethyl]-1-ethyl-3-[(1S)-1-(4-hydroxyphenyl)ethyl]urea?
The InChIKey is JZMDLTBETAOVJM-LBPRGKRZSA-N. The full InChI is InChI=1S/C15H25N3O2/c1-5-18(11-10-17(3)4)15(20)16-12(2)13-6-8-14(19)9-7-13/h6-9,12,19H,5,10-11H2,1-4H3,(H,16,20)/t12-/m0/s1.
What are the key properties of 1-[2-(dimethylamino)ethyl]-1-ethyl-3-[(1S)-1-(4-hydroxyphenyl)ethyl]urea?
1-[2-(dimethylamino)ethyl]-1-ethyl-3-[(1S)-1-(4-hydroxyphenyl)ethyl]urea has a molecular weight of 279.38 g/mol, XLogP of 2.05, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(dimethylamino)ethyl]-1-ethyl-3-[(1S)-1-(4-hydroxyphenyl)ethyl]urea is sourced from PubChem (CID 125443345), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).