3-[(4-acetylphenyl)methylamino]-1-phenylpropan-1-one

C18H19NO2 — CID 71326148

IUPAC3-[(4-acetylphenyl)methylamino]-1-phenylpropan-1-one
SMILESCC(=O)c1ccc(CNCCC(=O)c2ccccc2)cc1
InChIInChI=1S/C18H19NO2/c1-14(20)16-9-7-15(8-10-16)13-19-12-11-18(21)17-5-3-2-4-6-17/h2-10,19H,11-13H2,1H3
InChIKeyPTHUJNMPJWFWQX-UHFFFAOYSA-N
MW281.36 g/mol
LogP3.25
Rot. Bonds7

About 3-[(4-acetylphenyl)methylamino]-1-phenylpropan-1-one

3-[(4-acetylphenyl)methylamino]-1-phenylpropan-1-one (PubChem CID 71326148) has the molecular formula C18H19NO2 and a molecular weight of 281.36 g/mol. Its IUPAC name is 3-[(4-acetylphenyl)methylamino]-1-phenylpropan-1-one.

Molecular Properties

Compound Name3-[(4-acetylphenyl)methylamino]-1-phenylpropan-1-one
PubChem CID71326148
Molecular FormulaC18H19NO2
Molecular Weight281.36 g/mol
Exact Mass281.14
IUPAC Name3-[(4-acetylphenyl)methylamino]-1-phenylpropan-1-one
SMILESCC(=O)c1ccc(CNCCC(=O)c2ccccc2)cc1
InChIInChI=1S/C18H19NO2/c1-14(20)16-9-7-15(8-10-16)13-19-12-11-18(21)17-5-3-2-4-6-17/h2-10,19H,11-13H2,1H3
InChIKeyPTHUJNMPJWFWQX-UHFFFAOYSA-N
XLogP3.25
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.36
LogP ≤ 53.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

3-(benzylamino)-1-(3-hydroxyphenyl)propan-1-one
CID 53446398
1-[(4-benzoylphenyl)methylamino]-5-methylhex-4-en-3-one
CID 175053988
3-[[4-[(2-carboxyethylamino)methyl]phenyl]methylamino]propanoic acid
CID 68738006
3-(2-chloroethylamino)-1-phenylpropan-1-one
CID 2047021
[4-[(2-aminoethylamino)methyl]phenyl]-phenylmethanone
CID 155133296
1-[4-(butylaminomethyl)phenyl]octan-1-one
CID 142267372
ethane;3-(methylamino)-1-phenylpropan-1-one
CID 91239900
1-(cyclotetradecaheptaenyl)ethanone
CID 90871438
3-(ethylamino)-1-(4-ethylphenyl)propan-1-one
CID 94255299
1-[4-(4-acetylphenoxy)phenyl]-2-phenylethanone
CID 102402149
3-[(4-ethanimidoylphenyl)methylamino]propanoic acid
CID 89097101
[4-[4-[(pent-3-enylamino)methyl]phenyl]phenyl]-phenylmethanone
CID 67853321

Frequently Asked Questions

What is the IUPAC name of 3-[(4-acetylphenyl)methylamino]-1-phenylpropan-1-one?
The IUPAC name of 3-[(4-acetylphenyl)methylamino]-1-phenylpropan-1-one (CID 71326148) is 3-[(4-acetylphenyl)methylamino]-1-phenylpropan-1-one.
What is the SMILES notation for 3-[(4-acetylphenyl)methylamino]-1-phenylpropan-1-one?
The canonical SMILES for 3-[(4-acetylphenyl)methylamino]-1-phenylpropan-1-one is CC(=O)c1ccc(CNCCC(=O)c2ccccc2)cc1.
What is the InChIKey of 3-[(4-acetylphenyl)methylamino]-1-phenylpropan-1-one?
The InChIKey is PTHUJNMPJWFWQX-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19NO2/c1-14(20)16-9-7-15(8-10-16)13-19-12-11-18(21)17-5-3-2-4-6-17/h2-10,19H,11-13H2,1H3.
What are the key properties of 3-[(4-acetylphenyl)methylamino]-1-phenylpropan-1-one?
3-[(4-acetylphenyl)methylamino]-1-phenylpropan-1-one has a molecular weight of 281.36 g/mol, XLogP of 3.25, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(4-acetylphenyl)methylamino]-1-phenylpropan-1-one is sourced from PubChem (CID 71326148), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).