3-[2-(dimethylamino)-2-methylpropyl]-1-ethyl-1-[2-hydroxy-2-(4-methylphenyl)ethyl]urea

C18H31N3O2 — CID 111722248

IUPAC3-[2-(dimethylamino)-2-methylpropyl]-1-ethyl-1-[2-hydroxy-2-(4-methylphenyl)ethyl]urea
SMILESCCN(CC(O)c1ccc(C)cc1)C(=O)NCC(C)(C)N(C)C
InChIInChI=1S/C18H31N3O2/c1-7-21(17(23)19-13-18(3,4)20(5)6)12-16(22)15-10-8-14(2)9-11-15/h8-11,16,22H,7,12-13H2,1-6H3,(H,19,23)
InChIKeyWYDKYVRTYLUGOU-UHFFFAOYSA-N
MW321.47 g/mol
LogP2.40
Rot. Bonds7

About 3-[2-(dimethylamino)-2-methylpropyl]-1-ethyl-1-[2-hydroxy-2-(4-methylphenyl)ethyl]urea

3-[2-(dimethylamino)-2-methylpropyl]-1-ethyl-1-[2-hydroxy-2-(4-methylphenyl)ethyl]urea (PubChem CID 111722248) has the molecular formula C18H31N3O2 and a molecular weight of 321.47 g/mol. Its IUPAC name is 3-[2-(dimethylamino)-2-methylpropyl]-1-ethyl-1-[2-hydroxy-2-(4-methylphenyl)ethyl]urea.

Molecular Properties

Compound Name3-[2-(dimethylamino)-2-methylpropyl]-1-ethyl-1-[2-hydroxy-2-(4-methylphenyl)ethyl]urea
PubChem CID111722248
Molecular FormulaC18H31N3O2
Molecular Weight321.47 g/mol
Exact Mass321.24
IUPAC Name3-[2-(dimethylamino)-2-methylpropyl]-1-ethyl-1-[2-hydroxy-2-(4-methylphenyl)ethyl]urea
SMILESCCN(CC(O)c1ccc(C)cc1)C(=O)NCC(C)(C)N(C)C
InChIInChI=1S/C18H31N3O2/c1-7-21(17(23)19-13-18(3,4)20(5)6)12-16(22)15-10-8-14(2)9-11-15/h8-11,16,22H,7,12-13H2,1-6H3,(H,19,23)
InChIKeyWYDKYVRTYLUGOU-UHFFFAOYSA-N
XLogP2.40
TPSA55.81 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.47
LogP ≤ 52.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

Mk-1496
CID 67313626
H 29-50
CID 192962
2-amino-N-[(1R,2R)-1-hydroxy-1-phenylpropan-2-yl]-N-methylacetamide
CID 1512505
H 35-25
CID 166842
Urea, (beta-hydroxyphenethyl)-
CID 212827
(1R,2S)-1-(4-methylphenyl)-2-(propan-2-ylamino)propan-1-ol
CID 40580632
2-amino-N-[(2R)-1-hydroxy-1-phenylpropan-2-yl]-N-methylacetamide
CID 24761775
N-Dodecyl-N'-[(1S,2R)-1-hydroxy-1-phenylpropan-2-yl]urea
CID 44456844
(2R)-2-amino-N-[(1S,2S)-1-hydroxy-1-phenylpropan-2-yl]-N-methylpent-4-enamide
CID 394809
N-[2-[(2-hydroxy-2-phenylethyl)amino]ethyl]propanamide
CID 22769471
N-[2-[[2-hydroxy-2-(4-methylphenyl)ethyl]amino]ethyl]propanamide
CID 22769472
ethyl N-[2-[(2-hydroxy-2-phenylethyl)amino]ethyl]carbamate
CID 22769474

Frequently Asked Questions

What is the IUPAC name of 3-[2-(dimethylamino)-2-methylpropyl]-1-ethyl-1-[2-hydroxy-2-(4-methylphenyl)ethyl]urea?
The IUPAC name of 3-[2-(dimethylamino)-2-methylpropyl]-1-ethyl-1-[2-hydroxy-2-(4-methylphenyl)ethyl]urea (CID 111722248) is 3-[2-(dimethylamino)-2-methylpropyl]-1-ethyl-1-[2-hydroxy-2-(4-methylphenyl)ethyl]urea.
What is the SMILES notation for 3-[2-(dimethylamino)-2-methylpropyl]-1-ethyl-1-[2-hydroxy-2-(4-methylphenyl)ethyl]urea?
The canonical SMILES for 3-[2-(dimethylamino)-2-methylpropyl]-1-ethyl-1-[2-hydroxy-2-(4-methylphenyl)ethyl]urea is CCN(CC(O)c1ccc(C)cc1)C(=O)NCC(C)(C)N(C)C.
What is the InChIKey of 3-[2-(dimethylamino)-2-methylpropyl]-1-ethyl-1-[2-hydroxy-2-(4-methylphenyl)ethyl]urea?
The InChIKey is WYDKYVRTYLUGOU-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H31N3O2/c1-7-21(17(23)19-13-18(3,4)20(5)6)12-16(22)15-10-8-14(2)9-11-15/h8-11,16,22H,7,12-13H2,1-6H3,(H,19,23).
What are the key properties of 3-[2-(dimethylamino)-2-methylpropyl]-1-ethyl-1-[2-hydroxy-2-(4-methylphenyl)ethyl]urea?
3-[2-(dimethylamino)-2-methylpropyl]-1-ethyl-1-[2-hydroxy-2-(4-methylphenyl)ethyl]urea has a molecular weight of 321.47 g/mol, XLogP of 2.40, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-(dimethylamino)-2-methylpropyl]-1-ethyl-1-[2-hydroxy-2-(4-methylphenyl)ethyl]urea is sourced from PubChem (CID 111722248), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).