3-[3-[(4-oxo-4-phenylbutan-2-yl)amino]propylamino]-1-phenylbutan-1-one

C23H30N2O2 — CID 100941920

IUPAC3-[3-[(4-oxo-4-phenylbutan-2-yl)amino]propylamino]-1-phenylbutan-1-one
SMILESCC(CC(=O)c1ccccc1)NCCCNC(C)CC(=O)c1ccccc1
InChIInChI=1S/C23H30N2O2/c1-18(16-22(26)20-10-5-3-6-11-20)24-14-9-15-25-19(2)17-23(27)21-12-7-4-8-13-21/h3-8,10-13,18-19,24-25H,9,14-17H2,1-2H3
InChIKeyAARSOIPPBYDCGS-UHFFFAOYSA-N
MW366.50 g/mol
LogP3.88
Rot. Bonds12

About 3-[3-[(4-oxo-4-phenylbutan-2-yl)amino]propylamino]-1-phenylbutan-1-one

3-[3-[(4-oxo-4-phenylbutan-2-yl)amino]propylamino]-1-phenylbutan-1-one (PubChem CID 100941920) has the molecular formula C23H30N2O2 and a molecular weight of 366.50 g/mol. Its IUPAC name is 3-[3-[(4-oxo-4-phenylbutan-2-yl)amino]propylamino]-1-phenylbutan-1-one.

Molecular Properties

Compound Name3-[3-[(4-oxo-4-phenylbutan-2-yl)amino]propylamino]-1-phenylbutan-1-one
PubChem CID100941920
Molecular FormulaC23H30N2O2
Molecular Weight366.50 g/mol
Exact Mass366.23
IUPAC Name3-[3-[(4-oxo-4-phenylbutan-2-yl)amino]propylamino]-1-phenylbutan-1-one
SMILESCC(CC(=O)c1ccccc1)NCCCNC(C)CC(=O)c1ccccc1
InChIInChI=1S/C23H30N2O2/c1-18(16-22(26)20-10-5-3-6-11-20)24-14-9-15-25-19(2)17-23(27)21-12-7-4-8-13-21/h3-8,10-13,18-19,24-25H,9,14-17H2,1-2H3
InChIKeyAARSOIPPBYDCGS-UHFFFAOYSA-N
XLogP3.88
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds12
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.50
LogP ≤ 53.88
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

N-(4-oxo-4-phenylbutan-2-yl)benzamide
CID 15430092
3-(butan-2-ylamino)-1-phenylpropan-1-one
CID 112509787
(3R)-3-hydroxy-1-phenylbutan-1-one
CID 5324981
3,4-dimethyl-1-phenylpentan-1-one
CID 24976524
3-phenacyl-1,5-diphenylpentane-1,5-dione
CID 10547136
2,6-dimethylheptan-4-one;3-methyl-1-phenylbutan-1-one
CID 174883238
3,3-bis(methylamino)-1-phenylpropan-1-one
CID 175140827
3-[3-(N-methylanilino)propylamino]butanoic acid
CID 43536640
2-(ethylamino)-4-oxo-4-phenylbutanoic acid
CID 23008759
methyl (3S)-2-methyl-5-oxo-3,5-diphenylpentanoate
CID 58174664
N-[(2S)-4-oxo-4-phenylbutan-2-yl]furan-3-carboxamide
CID 97086513
4-chloro-3-hydroxy-1-phenylpentan-1-one
CID 15327489

Frequently Asked Questions

What is the IUPAC name of 3-[3-[(4-oxo-4-phenylbutan-2-yl)amino]propylamino]-1-phenylbutan-1-one?
The IUPAC name of 3-[3-[(4-oxo-4-phenylbutan-2-yl)amino]propylamino]-1-phenylbutan-1-one (CID 100941920) is 3-[3-[(4-oxo-4-phenylbutan-2-yl)amino]propylamino]-1-phenylbutan-1-one.
What is the SMILES notation for 3-[3-[(4-oxo-4-phenylbutan-2-yl)amino]propylamino]-1-phenylbutan-1-one?
The canonical SMILES for 3-[3-[(4-oxo-4-phenylbutan-2-yl)amino]propylamino]-1-phenylbutan-1-one is CC(CC(=O)c1ccccc1)NCCCNC(C)CC(=O)c1ccccc1.
What is the InChIKey of 3-[3-[(4-oxo-4-phenylbutan-2-yl)amino]propylamino]-1-phenylbutan-1-one?
The InChIKey is AARSOIPPBYDCGS-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H30N2O2/c1-18(16-22(26)20-10-5-3-6-11-20)24-14-9-15-25-19(2)17-23(27)21-12-7-4-8-13-21/h3-8,10-13,18-19,24-25H,9,14-17H2,1-2H3.
What are the key properties of 3-[3-[(4-oxo-4-phenylbutan-2-yl)amino]propylamino]-1-phenylbutan-1-one?
3-[3-[(4-oxo-4-phenylbutan-2-yl)amino]propylamino]-1-phenylbutan-1-one has a molecular weight of 366.50 g/mol, XLogP of 3.88, 12 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-[(4-oxo-4-phenylbutan-2-yl)amino]propylamino]-1-phenylbutan-1-one is sourced from PubChem (CID 100941920), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).