3-amino-4-(4-phenylphenyl)butan-2-one;ethane

C18H23NO — CID 176709550

IUPAC3-amino-4-(4-phenylphenyl)butan-2-one;ethane
SMILESCC.CC(=O)C(N)Cc1ccc(-c2ccccc2)cc1
InChIInChI=1S/C16H17NO.C2H6/c1-12(18)16(17)11-13-7-9-15(10-8-13)14-5-3-2-4-6-14;1-2/h2-10,16H,11,17H2,1H3;1-2H3
InChIKeyRGCDRWAXSIEDES-UHFFFAOYSA-N
MW269.39 g/mol
LogP3.84
Rot. Bonds4

About 3-amino-4-(4-phenylphenyl)butan-2-one;ethane

3-amino-4-(4-phenylphenyl)butan-2-one;ethane (PubChem CID 176709550) has the molecular formula C18H23NO and a molecular weight of 269.39 g/mol. Its IUPAC name is 3-amino-4-(4-phenylphenyl)butan-2-one;ethane.

Molecular Properties

Compound Name3-amino-4-(4-phenylphenyl)butan-2-one;ethane
PubChem CID176709550
Molecular FormulaC18H23NO
Molecular Weight269.39 g/mol
Exact Mass269.18
IUPAC Name3-amino-4-(4-phenylphenyl)butan-2-one;ethane
SMILESCC.CC(=O)C(N)Cc1ccc(-c2ccccc2)cc1
InChIInChI=1S/C16H17NO.C2H6/c1-12(18)16(17)11-13-7-9-15(10-8-13)14-5-3-2-4-6-14;1-2/h2-10,16H,11,17H2,1H3;1-2H3
InChIKeyRGCDRWAXSIEDES-UHFFFAOYSA-N
XLogP3.84
TPSA43.09 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.39
LogP ≤ 53.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(3R)-3-amino-4-(4-phenylphenyl)butan-2-one
CID 159098025
(2S)-2-amino-3-[4-(4-phenylphenyl)phenyl]propanoic acid;hydrochloride
CID 70131876
(2S)-2-amino-3-phenylpropanoic acid;1,1'-biphenyl
CID 67133421
(2S)-2-amino-3-phenylpropanoic acid;(2R)-2-amino-3-phenylpropanoic acid;ethane
CID 161384193
2-amino-3-phenylpropanoic acid;ethane
CID 91596942
3-bromo-4-(4-phenylphenyl)butan-2-one
CID 62393399
(3R)-3-amino-4-[4-(4-phenoxyphenoxy)phenyl]butan-2-one
CID 59660716
2-amino-3-(4-phenylphenyl)propanoic acid;(2S)-2-[2-[(1S)-1-carboxy-2-phenylethyl]hydrazinyl]-3-phenylpropanoic acid
CID 66615741
(3R)-3-amino-4-[4-(4-phenoxyphenoxy)phenyl]butan-2-one;hydrochloride
CID 159787435
tert-butyl 2-amino-3-(4-phenylphenyl)propanoate;hydrochloride
CID 141206452
(3S)-3-(methylamino)-4-(4-phenylphenyl)butan-2-one
CID 59048252
methyl N-[(2S)-2-amino-3-(4-phenylphenyl)propanoyl]carbamate
CID 118163587

Frequently Asked Questions

What is the IUPAC name of 3-amino-4-(4-phenylphenyl)butan-2-one;ethane?
The IUPAC name of 3-amino-4-(4-phenylphenyl)butan-2-one;ethane (CID 176709550) is 3-amino-4-(4-phenylphenyl)butan-2-one;ethane.
What is the SMILES notation for 3-amino-4-(4-phenylphenyl)butan-2-one;ethane?
The canonical SMILES for 3-amino-4-(4-phenylphenyl)butan-2-one;ethane is CC.CC(=O)C(N)Cc1ccc(-c2ccccc2)cc1.
What is the InChIKey of 3-amino-4-(4-phenylphenyl)butan-2-one;ethane?
The InChIKey is RGCDRWAXSIEDES-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17NO.C2H6/c1-12(18)16(17)11-13-7-9-15(10-8-13)14-5-3-2-4-6-14;1-2/h2-10,16H,11,17H2,1H3;1-2H3.
What are the key properties of 3-amino-4-(4-phenylphenyl)butan-2-one;ethane?
3-amino-4-(4-phenylphenyl)butan-2-one;ethane has a molecular weight of 269.39 g/mol, XLogP of 3.84, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-4-(4-phenylphenyl)butan-2-one;ethane is sourced from PubChem (CID 176709550), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).