4-(diethylamino)-1-[2-[(4-methoxyphenyl)methyl]phenyl]butan-1-one

C22H29NO2 — CID 148644634

IUPAC4-(diethylamino)-1-[2-[(4-methoxyphenyl)methyl]phenyl]butan-1-one
SMILESCCN(CC)CCCC(=O)c1ccccc1Cc1ccc(OC)cc1
InChIInChI=1S/C22H29NO2/c1-4-23(5-2)16-8-11-22(24)21-10-7-6-9-19(21)17-18-12-14-20(25-3)15-13-18/h6-7,9-10,12-15H,4-5,8,11,16-17H2,1-3H3
InChIKeyNKSINSUXCRCUEY-UHFFFAOYSA-N
MW339.48 g/mol
LogP4.59
Rot. Bonds10

About 4-(diethylamino)-1-[2-[(4-methoxyphenyl)methyl]phenyl]butan-1-one

4-(diethylamino)-1-[2-[(4-methoxyphenyl)methyl]phenyl]butan-1-one (PubChem CID 148644634) has the molecular formula C22H29NO2 and a molecular weight of 339.48 g/mol. Its IUPAC name is 4-(diethylamino)-1-[2-[(4-methoxyphenyl)methyl]phenyl]butan-1-one.

Molecular Properties

Compound Name4-(diethylamino)-1-[2-[(4-methoxyphenyl)methyl]phenyl]butan-1-one
PubChem CID148644634
Molecular FormulaC22H29NO2
Molecular Weight339.48 g/mol
Exact Mass339.22
IUPAC Name4-(diethylamino)-1-[2-[(4-methoxyphenyl)methyl]phenyl]butan-1-one
SMILESCCN(CC)CCCC(=O)c1ccccc1Cc1ccc(OC)cc1
InChIInChI=1S/C22H29NO2/c1-4-23(5-2)16-8-11-22(24)21-10-7-6-9-19(21)17-18-12-14-20(25-3)15-13-18/h6-7,9-10,12-15H,4-5,8,11,16-17H2,1-3H3
InChIKeyNKSINSUXCRCUEY-UHFFFAOYSA-N
XLogP4.59
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.48
LogP ≤ 54.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

ethane;3-(4-methoxyphenyl)-1-(2-methylphenyl)propan-1-one
CID 145125132
[2-[(4-methoxyphenyl)methyl]phenyl]-phenylmethanone
CID 14451235
1-[2-(2-aminoethyl)phenyl]-3-(4-methoxyphenyl)propan-1-one
CID 116577352
2-[2-[(4-methoxyphenyl)methyl]phenyl]acetic acid
CID 12743493
1-[3-(diethylamino)propyl]-3-[2-(4-methoxyphenyl)ethyl]urea
CID 108901941
N-[3-(diethylamino)propyl]-2-[2-(methylamino)ethyl]benzamide
CID 104547307
N-ethyl-5-(4-methoxyphenyl)-5-oxo-N-phenylpentanamide
CID 110298239
2-(diethylamino)ethyl 2-benzyl-3-(4-methoxyphenyl)propanoate
CID 24834681
3-[3-(diethylamino)propylamino]-6-[(4-methoxyphenyl)methyl]-4H-1,2,4-triazin-5-one
CID 136779931
[2-[(4-methoxyphenyl)methylamino]-2-oxoethyl] 2-benzylbenzoate
CID 2587645
methyl 2-[2-(4-methoxyphenyl)acetyl]benzoate
CID 14946047
1-(2-aminophenyl)-2-(4-methoxyphenyl)ethanone
CID 15573867

Frequently Asked Questions

What is the IUPAC name of 4-(diethylamino)-1-[2-[(4-methoxyphenyl)methyl]phenyl]butan-1-one?
The IUPAC name of 4-(diethylamino)-1-[2-[(4-methoxyphenyl)methyl]phenyl]butan-1-one (CID 148644634) is 4-(diethylamino)-1-[2-[(4-methoxyphenyl)methyl]phenyl]butan-1-one.
What is the SMILES notation for 4-(diethylamino)-1-[2-[(4-methoxyphenyl)methyl]phenyl]butan-1-one?
The canonical SMILES for 4-(diethylamino)-1-[2-[(4-methoxyphenyl)methyl]phenyl]butan-1-one is CCN(CC)CCCC(=O)c1ccccc1Cc1ccc(OC)cc1.
What is the InChIKey of 4-(diethylamino)-1-[2-[(4-methoxyphenyl)methyl]phenyl]butan-1-one?
The InChIKey is NKSINSUXCRCUEY-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H29NO2/c1-4-23(5-2)16-8-11-22(24)21-10-7-6-9-19(21)17-18-12-14-20(25-3)15-13-18/h6-7,9-10,12-15H,4-5,8,11,16-17H2,1-3H3.
What are the key properties of 4-(diethylamino)-1-[2-[(4-methoxyphenyl)methyl]phenyl]butan-1-one?
4-(diethylamino)-1-[2-[(4-methoxyphenyl)methyl]phenyl]butan-1-one has a molecular weight of 339.48 g/mol, XLogP of 4.59, 10 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(diethylamino)-1-[2-[(4-methoxyphenyl)methyl]phenyl]butan-1-one is sourced from PubChem (CID 148644634), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).