1-(2-methylphenyl)-1-[2-[[1-(2-methylphenyl)-2-oxopropyl]amino]ethylamino]propan-2-one

C22H28N2O2 — CID 142068902

IUPAC1-(2-methylphenyl)-1-[2-[[1-(2-methylphenyl)-2-oxopropyl]amino]ethylamino]propan-2-one
SMILESCC(=O)C(NCCNC(C(C)=O)c1ccccc1C)c1ccccc1C
InChIInChI=1S/C22H28N2O2/c1-15-9-5-7-11-19(15)21(17(3)25)23-13-14-24-22(18(4)26)20-12-8-6-10-16(20)2/h5-12,21-24H,13-14H2,1-4H3
InChIKeyCZVSQQUNMQDMHF-UHFFFAOYSA-N
MW352.48 g/mol
LogP3.44
Rot. Bonds9

About 1-(2-methylphenyl)-1-[2-[[1-(2-methylphenyl)-2-oxopropyl]amino]ethylamino]propan-2-one

1-(2-methylphenyl)-1-[2-[[1-(2-methylphenyl)-2-oxopropyl]amino]ethylamino]propan-2-one (PubChem CID 142068902) has the molecular formula C22H28N2O2 and a molecular weight of 352.48 g/mol. Its IUPAC name is 1-(2-methylphenyl)-1-[2-[[1-(2-methylphenyl)-2-oxopropyl]amino]ethylamino]propan-2-one.

Molecular Properties

Compound Name1-(2-methylphenyl)-1-[2-[[1-(2-methylphenyl)-2-oxopropyl]amino]ethylamino]propan-2-one
PubChem CID142068902
Molecular FormulaC22H28N2O2
Molecular Weight352.48 g/mol
Exact Mass352.22
IUPAC Name1-(2-methylphenyl)-1-[2-[[1-(2-methylphenyl)-2-oxopropyl]amino]ethylamino]propan-2-one
SMILESCC(=O)C(NCCNC(C(C)=O)c1ccccc1C)c1ccccc1C
InChIInChI=1S/C22H28N2O2/c1-15-9-5-7-11-19(15)21(17(3)25)23-13-14-24-22(18(4)26)20-12-8-6-10-16(20)2/h5-12,21-24H,13-14H2,1-4H3
InChIKeyCZVSQQUNMQDMHF-UHFFFAOYSA-N
XLogP3.44
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.48
LogP ≤ 53.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

(3R)-3-(2-methylphenyl)butan-2-one
CID 90139628
1-amino-1-(2-methylphenyl)propan-2-one
CID 55295097
ethyl 2-(2-azidoethylamino)-2-(2-methylphenyl)acetate
CID 66190436
3-[1-(2-methylphenyl)ethylamino]propanoic acid
CID 43087225
1,1-dimethyl-3-[2-[1-(2-methylphenyl)ethylamino]ethyl]urea
CID 83116277
acetic acid;(2-methylphenyl)methanediol
CID 71361235
[(1S)-1-(2-methylphenyl)ethyl] acetate
CID 102370508
2-[2-[[carboxy-(2-hydroxyphenyl)methyl]amino]ethylamino]-2-(2-hydroxyphenyl)acetic acid
CID 14432
[(1R)-1-(2-methylphenyl)ethyl] acetate
CID 11062959
N-[(2R)-2-(2-methylphenyl)propyl]acetamide
CID 138978535
methyl (3R)-3-hydroxy-3-(2-methylphenyl)propanoate;hydrochloride
CID 54593844
ethane;methyl 3-hydroxy-3-(2-methylphenyl)propanoate
CID 144861707

Frequently Asked Questions

What is the IUPAC name of 1-(2-methylphenyl)-1-[2-[[1-(2-methylphenyl)-2-oxopropyl]amino]ethylamino]propan-2-one?
The IUPAC name of 1-(2-methylphenyl)-1-[2-[[1-(2-methylphenyl)-2-oxopropyl]amino]ethylamino]propan-2-one (CID 142068902) is 1-(2-methylphenyl)-1-[2-[[1-(2-methylphenyl)-2-oxopropyl]amino]ethylamino]propan-2-one.
What is the SMILES notation for 1-(2-methylphenyl)-1-[2-[[1-(2-methylphenyl)-2-oxopropyl]amino]ethylamino]propan-2-one?
The canonical SMILES for 1-(2-methylphenyl)-1-[2-[[1-(2-methylphenyl)-2-oxopropyl]amino]ethylamino]propan-2-one is CC(=O)C(NCCNC(C(C)=O)c1ccccc1C)c1ccccc1C.
What is the InChIKey of 1-(2-methylphenyl)-1-[2-[[1-(2-methylphenyl)-2-oxopropyl]amino]ethylamino]propan-2-one?
The InChIKey is CZVSQQUNMQDMHF-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H28N2O2/c1-15-9-5-7-11-19(15)21(17(3)25)23-13-14-24-22(18(4)26)20-12-8-6-10-16(20)2/h5-12,21-24H,13-14H2,1-4H3.
What are the key properties of 1-(2-methylphenyl)-1-[2-[[1-(2-methylphenyl)-2-oxopropyl]amino]ethylamino]propan-2-one?
1-(2-methylphenyl)-1-[2-[[1-(2-methylphenyl)-2-oxopropyl]amino]ethylamino]propan-2-one has a molecular weight of 352.48 g/mol, XLogP of 3.44, 9 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-methylphenyl)-1-[2-[[1-(2-methylphenyl)-2-oxopropyl]amino]ethylamino]propan-2-one is sourced from PubChem (CID 142068902), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).