1-ethyl-1-methyl-3-[(2S)-2-phenylpropyl]urea

C13H20N2O — CID 97028200

IUPAC1-ethyl-1-methyl-3-[(2S)-2-phenylpropyl]urea
SMILESCCN(C)C(=O)NC[C@@H](C)c1ccccc1
InChIInChI=1S/C13H20N2O/c1-4-15(3)13(16)14-10-11(2)12-8-6-5-7-9-12/h5-9,11H,4,10H2,1-3H3,(H,14,16)/t11-/m1/s1
InChIKeyHIKYUUBRPSUYLS-LLVKDONJSA-N
MW220.32 g/mol
LogP2.45
Rot. Bonds4

About 1-ethyl-1-methyl-3-[(2S)-2-phenylpropyl]urea

1-ethyl-1-methyl-3-[(2S)-2-phenylpropyl]urea (PubChem CID 97028200) has the molecular formula C13H20N2O and a molecular weight of 220.32 g/mol. Its IUPAC name is 1-ethyl-1-methyl-3-[(2S)-2-phenylpropyl]urea.

Molecular Properties

Compound Name1-ethyl-1-methyl-3-[(2S)-2-phenylpropyl]urea
PubChem CID97028200
Molecular FormulaC13H20N2O
Molecular Weight220.32 g/mol
Exact Mass220.16
IUPAC Name1-ethyl-1-methyl-3-[(2S)-2-phenylpropyl]urea
SMILESCCN(C)C(=O)NC[C@@H](C)c1ccccc1
InChIInChI=1S/C13H20N2O/c1-4-15(3)13(16)14-10-11(2)12-8-6-5-7-9-12/h5-9,11H,4,10H2,1-3H3,(H,14,16)/t11-/m1/s1
InChIKeyHIKYUUBRPSUYLS-LLVKDONJSA-N
XLogP2.45
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.32
LogP ≤ 52.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

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N,N'-Bis(2-phenylethyl)urea
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Phenpromethamine hydrochloride
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Formamide, N-(2-phenylethyl)-
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1-Benzyl-3-cyclohexylurea
CID 544877
1-Cyclohexyl-3-(2-phenylethyl)urea
CID 742677
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CID 290550
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CID 6472454
N-(tert-butyl)-N'-phenethylurea
CID 306674

Frequently Asked Questions

What is the IUPAC name of 1-ethyl-1-methyl-3-[(2S)-2-phenylpropyl]urea?
The IUPAC name of 1-ethyl-1-methyl-3-[(2S)-2-phenylpropyl]urea (CID 97028200) is 1-ethyl-1-methyl-3-[(2S)-2-phenylpropyl]urea.
What is the SMILES notation for 1-ethyl-1-methyl-3-[(2S)-2-phenylpropyl]urea?
The canonical SMILES for 1-ethyl-1-methyl-3-[(2S)-2-phenylpropyl]urea is CCN(C)C(=O)NC[C@@H](C)c1ccccc1.
What is the InChIKey of 1-ethyl-1-methyl-3-[(2S)-2-phenylpropyl]urea?
The InChIKey is HIKYUUBRPSUYLS-LLVKDONJSA-N. The full InChI is InChI=1S/C13H20N2O/c1-4-15(3)13(16)14-10-11(2)12-8-6-5-7-9-12/h5-9,11H,4,10H2,1-3H3,(H,14,16)/t11-/m1/s1.
What are the key properties of 1-ethyl-1-methyl-3-[(2S)-2-phenylpropyl]urea?
1-ethyl-1-methyl-3-[(2S)-2-phenylpropyl]urea has a molecular weight of 220.32 g/mol, XLogP of 2.45, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-1-methyl-3-[(2S)-2-phenylpropyl]urea is sourced from PubChem (CID 97028200), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).