1-[2-(dimethylamino)-2-methylpropyl]-3-(2-hydroxy-1-phenylethyl)urea

C15H25N3O2 — CID 110894926

IUPAC1-[2-(dimethylamino)-2-methylpropyl]-3-(2-hydroxy-1-phenylethyl)urea
SMILESCN(C)C(C)(C)CNC(=O)NC(CO)c1ccccc1
InChIInChI=1S/C15H25N3O2/c1-15(2,18(3)4)11-16-14(20)17-13(10-19)12-8-6-5-7-9-12/h5-9,13,19H,10-11H2,1-4H3,(H2,16,17,20)
InChIKeySXBQWMGJDZRDGJ-UHFFFAOYSA-N
MW279.38 g/mol
LogP1.36
Rot. Bonds6

About 1-[2-(dimethylamino)-2-methylpropyl]-3-(2-hydroxy-1-phenylethyl)urea

1-[2-(dimethylamino)-2-methylpropyl]-3-(2-hydroxy-1-phenylethyl)urea (PubChem CID 110894926) has the molecular formula C15H25N3O2 and a molecular weight of 279.38 g/mol. Its IUPAC name is 1-[2-(dimethylamino)-2-methylpropyl]-3-(2-hydroxy-1-phenylethyl)urea.

Molecular Properties

Compound Name1-[2-(dimethylamino)-2-methylpropyl]-3-(2-hydroxy-1-phenylethyl)urea
PubChem CID110894926
Molecular FormulaC15H25N3O2
Molecular Weight279.38 g/mol
Exact Mass279.19
IUPAC Name1-[2-(dimethylamino)-2-methylpropyl]-3-(2-hydroxy-1-phenylethyl)urea
SMILESCN(C)C(C)(C)CNC(=O)NC(CO)c1ccccc1
InChIInChI=1S/C15H25N3O2/c1-15(2,18(3)4)11-16-14(20)17-13(10-19)12-8-6-5-7-9-12/h5-9,13,19H,10-11H2,1-4H3,(H2,16,17,20)
InChIKeySXBQWMGJDZRDGJ-UHFFFAOYSA-N
XLogP1.36
TPSA64.60 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.38
LogP ≤ 51.36
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

1-[2-(dimethylamino)-1-phenylethyl]-3-(2-methyl-2-phenylpropyl)urea
CID 78880258
3-[[(1R)-2-hydroxy-1-phenylethyl]carbamoylamino]-N,N-dimethylpropanamide
CID 122566906
1-[2-[benzyl(methyl)amino]ethyl]-3-(2-hydroxy-1-phenylethyl)urea
CID 110903342
1-[(1S)-2-hydroxy-1-phenylethyl]-3-(2-methoxy-3,3-dimethylbutyl)urea
CID 110007149
1-butyl-3-[(1R)-2-hydroxy-1-phenylethyl]urea
CID 94740192
1-[(1R)-2-hydroxy-1-phenylethyl]-3-propan-2-ylurea
CID 103763270
1-hexyl-3-[(1R)-2-hydroxy-1-phenylethyl]urea
CID 59924188
4-[[(1R)-2-hydroxy-1-phenylethyl]carbamoylamino]butanoic acid
CID 122022193
1-[(1S)-2-hydroxy-1-phenylethyl]-3-[(5-methylthiophen-2-yl)methyl]urea
CID 75448635
(2R)-2-amino-N-[2-(dimethylamino)-2-methylpropyl]-3-phenylpropanamide
CID 78985535
1-(2-hydroxy-1-phenylethyl)-3-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]urea
CID 111507731
1-(2-hydroxy-1-phenylethyl)-3-(3-propan-2-yloxypropyl)urea
CID 110894791

Frequently Asked Questions

What is the IUPAC name of 1-[2-(dimethylamino)-2-methylpropyl]-3-(2-hydroxy-1-phenylethyl)urea?
The IUPAC name of 1-[2-(dimethylamino)-2-methylpropyl]-3-(2-hydroxy-1-phenylethyl)urea (CID 110894926) is 1-[2-(dimethylamino)-2-methylpropyl]-3-(2-hydroxy-1-phenylethyl)urea.
What is the SMILES notation for 1-[2-(dimethylamino)-2-methylpropyl]-3-(2-hydroxy-1-phenylethyl)urea?
The canonical SMILES for 1-[2-(dimethylamino)-2-methylpropyl]-3-(2-hydroxy-1-phenylethyl)urea is CN(C)C(C)(C)CNC(=O)NC(CO)c1ccccc1.
What is the InChIKey of 1-[2-(dimethylamino)-2-methylpropyl]-3-(2-hydroxy-1-phenylethyl)urea?
The InChIKey is SXBQWMGJDZRDGJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25N3O2/c1-15(2,18(3)4)11-16-14(20)17-13(10-19)12-8-6-5-7-9-12/h5-9,13,19H,10-11H2,1-4H3,(H2,16,17,20).
What are the key properties of 1-[2-(dimethylamino)-2-methylpropyl]-3-(2-hydroxy-1-phenylethyl)urea?
1-[2-(dimethylamino)-2-methylpropyl]-3-(2-hydroxy-1-phenylethyl)urea has a molecular weight of 279.38 g/mol, XLogP of 1.36, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(dimethylamino)-2-methylpropyl]-3-(2-hydroxy-1-phenylethyl)urea is sourced from PubChem (CID 110894926), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).