3-[(2S)-butan-2-yl]-1-ethyl-1-[(1S)-1-(3-hydroxyphenyl)ethyl]urea

C15H24N2O2 — CID 94797724

IUPAC3-[(2S)-butan-2-yl]-1-ethyl-1-[(1S)-1-(3-hydroxyphenyl)ethyl]urea
SMILESCC[C@H](C)NC(=O)N(CC)[C@@H](C)c1cccc(O)c1
InChIInChI=1S/C15H24N2O2/c1-5-11(3)16-15(19)17(6-2)12(4)13-8-7-9-14(18)10-13/h7-12,18H,5-6H2,1-4H3,(H,16,19)/t11-,12-/m0/s1
InChIKeyJWKOVTUFDSBQAV-RYUDHWBXSA-N
MW264.37 g/mol
LogP3.28
Rot. Bonds5

About 3-[(2S)-butan-2-yl]-1-ethyl-1-[(1S)-1-(3-hydroxyphenyl)ethyl]urea

3-[(2S)-butan-2-yl]-1-ethyl-1-[(1S)-1-(3-hydroxyphenyl)ethyl]urea (PubChem CID 94797724) has the molecular formula C15H24N2O2 and a molecular weight of 264.37 g/mol. Its IUPAC name is 3-[(2S)-butan-2-yl]-1-ethyl-1-[(1S)-1-(3-hydroxyphenyl)ethyl]urea.

Molecular Properties

Compound Name3-[(2S)-butan-2-yl]-1-ethyl-1-[(1S)-1-(3-hydroxyphenyl)ethyl]urea
PubChem CID94797724
Molecular FormulaC15H24N2O2
Molecular Weight264.37 g/mol
Exact Mass264.18
IUPAC Name3-[(2S)-butan-2-yl]-1-ethyl-1-[(1S)-1-(3-hydroxyphenyl)ethyl]urea
SMILESCC[C@H](C)NC(=O)N(CC)[C@@H](C)c1cccc(O)c1
InChIInChI=1S/C15H24N2O2/c1-5-11(3)16-15(19)17(6-2)12(4)13-8-7-9-14(18)10-13/h7-12,18H,5-6H2,1-4H3,(H,16,19)/t11-,12-/m0/s1
InChIKeyJWKOVTUFDSBQAV-RYUDHWBXSA-N
XLogP3.28
TPSA52.57 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.37
LogP ≤ 53.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-ethyl-N-[1-(3-hydroxyphenyl)ethyl]-2-methoxypropanamide
CID 112696419
3-(3-acetylphenyl)-1-ethyl-1-[(1S)-1-(3-hydroxyphenyl)ethyl]urea
CID 94798542
3-(2,5-dichlorophenyl)-1-ethyl-1-[1-(3-hydroxyphenyl)ethyl]urea
CID 60609346
(2S)-2-amino-N-ethyl-N-[1-(3-hydroxyphenyl)ethyl]-3-methylbutanamide
CID 61164790
4-[ethyl-[1-(3-hydroxyphenyl)ethyl]amino]-2,2-dimethyl-4-oxobutanoic acid
CID 65302133
2-[2-[ethyl-[1-(3-hydroxyphenyl)ethyl]amino]-2-oxoethoxy]acetic acid
CID 61327317
1-ethyl-1-[(1S)-1-(3-hydroxyphenyl)ethyl]-3-(2-oxochromen-6-yl)urea
CID 95163567
2-amino-N-ethyl-N-[1-(3-hydroxyphenyl)ethyl]hexanamide
CID 60953617
2-(butan-2-ylamino)-N-[1-(3-hydroxyphenyl)ethyl]acetamide
CID 54925343
N-ethyl-N-[1-(3-hydroxyphenyl)ethyl]-2-oxo-1H-pyridine-4-carboxamide
CID 103800325
1-[(1R)-1-(3-bromophenyl)ethyl]-1-ethyl-3-[(3R)-6,6,6-trifluorohexan-3-yl]urea
CID 164536634
N-ethyl-4-hydroxy-N-[1-(3-hydroxyphenyl)ethyl]pyrrolidine-2-carboxamide
CID 60953284

Frequently Asked Questions

What is the IUPAC name of 3-[(2S)-butan-2-yl]-1-ethyl-1-[(1S)-1-(3-hydroxyphenyl)ethyl]urea?
The IUPAC name of 3-[(2S)-butan-2-yl]-1-ethyl-1-[(1S)-1-(3-hydroxyphenyl)ethyl]urea (CID 94797724) is 3-[(2S)-butan-2-yl]-1-ethyl-1-[(1S)-1-(3-hydroxyphenyl)ethyl]urea.
What is the SMILES notation for 3-[(2S)-butan-2-yl]-1-ethyl-1-[(1S)-1-(3-hydroxyphenyl)ethyl]urea?
The canonical SMILES for 3-[(2S)-butan-2-yl]-1-ethyl-1-[(1S)-1-(3-hydroxyphenyl)ethyl]urea is CC[C@H](C)NC(=O)N(CC)[C@@H](C)c1cccc(O)c1.
What is the InChIKey of 3-[(2S)-butan-2-yl]-1-ethyl-1-[(1S)-1-(3-hydroxyphenyl)ethyl]urea?
The InChIKey is JWKOVTUFDSBQAV-RYUDHWBXSA-N. The full InChI is InChI=1S/C15H24N2O2/c1-5-11(3)16-15(19)17(6-2)12(4)13-8-7-9-14(18)10-13/h7-12,18H,5-6H2,1-4H3,(H,16,19)/t11-,12-/m0/s1.
What are the key properties of 3-[(2S)-butan-2-yl]-1-ethyl-1-[(1S)-1-(3-hydroxyphenyl)ethyl]urea?
3-[(2S)-butan-2-yl]-1-ethyl-1-[(1S)-1-(3-hydroxyphenyl)ethyl]urea has a molecular weight of 264.37 g/mol, XLogP of 3.28, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2S)-butan-2-yl]-1-ethyl-1-[(1S)-1-(3-hydroxyphenyl)ethyl]urea is sourced from PubChem (CID 94797724), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).