4-(dimethylamino)-1-[4-[4-(dimethylamino)butanoyl]phenyl]butan-1-one

C18H28N2O2 — CID 15284079

IUPAC4-(dimethylamino)-1-[4-[4-(dimethylamino)butanoyl]phenyl]butan-1-one
SMILESCN(C)CCCC(=O)c1ccc(C(=O)CCCN(C)C)cc1
InChIInChI=1S/C18H28N2O2/c1-19(2)13-5-7-17(21)15-9-11-16(12-10-15)18(22)8-6-14-20(3)4/h9-12H,5-8,13-14H2,1-4H3
InChIKeyFBQWIUBOHMMKNV-UHFFFAOYSA-N
MW304.43 g/mol
LogP2.74
Rot. Bonds10

About 4-(dimethylamino)-1-[4-[4-(dimethylamino)butanoyl]phenyl]butan-1-one

4-(dimethylamino)-1-[4-[4-(dimethylamino)butanoyl]phenyl]butan-1-one (PubChem CID 15284079) has the molecular formula C18H28N2O2 and a molecular weight of 304.43 g/mol. Its IUPAC name is 4-(dimethylamino)-1-[4-[4-(dimethylamino)butanoyl]phenyl]butan-1-one.

Molecular Properties

Compound Name4-(dimethylamino)-1-[4-[4-(dimethylamino)butanoyl]phenyl]butan-1-one
PubChem CID15284079
Molecular FormulaC18H28N2O2
Molecular Weight304.43 g/mol
Exact Mass304.22
IUPAC Name4-(dimethylamino)-1-[4-[4-(dimethylamino)butanoyl]phenyl]butan-1-one
SMILESCN(C)CCCC(=O)c1ccc(C(=O)CCCN(C)C)cc1
InChIInChI=1S/C18H28N2O2/c1-19(2)13-5-7-17(21)15-9-11-16(12-10-15)18(22)8-6-14-20(3)4/h9-12H,5-8,13-14H2,1-4H3
InChIKeyFBQWIUBOHMMKNV-UHFFFAOYSA-N
XLogP2.74
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.43
LogP ≤ 52.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

1-[4-(4-bromophenyl)phenyl]-4-(dimethylamino)butan-1-one chloride
CID 57388918
4-[3-(dimethylamino)propyl-ethylamino]-1-(4-fluorophenyl)butan-1-one
CID 102995017
17-(dimethylamino)-1-phenylheptadecan-1-one;hydrobromide
CID 175178049
1-(2,3-dihydro-1,4-benzodioxin-6-yl)-4-(dimethylamino)butan-1-one
CID 12538037
5-(dimethylamino)-1-[7-[5-(dimethylamino)pentanoyl]-9H-fluoren-2-yl]pentan-1-one
CID 515308
4-[benzyl(methyl)amino]-1-[4-[4-[benzyl(methyl)amino]butanoyl]phenyl]butan-1-one;dihydrochloride
CID 52997459
3-(dimethylamino)-1-(4-pentylphenyl)propan-1-one
CID 3951967
4-(diethylamino)-1-(4-hydroxyphenyl)butan-1-one
CID 141149368
4-(dimethylamino)-1-[4-[1-(2-methylphenyl)-5-phenylpyrrol-2-yl]phenyl]butan-1-one
CID 157112525
5-(dimethylamino)-1-(6-methoxynaphthalen-2-yl)pentan-1-one
CID 59200508
1-(4-fluorophenyl)-4-[methyl(2-methylpropyl)amino]butan-1-one
CID 43792985
4-[bis(2-methylpropyl)amino]-1-(4-bromophenyl)butan-1-one
CID 63567345

Frequently Asked Questions

What is the IUPAC name of 4-(dimethylamino)-1-[4-[4-(dimethylamino)butanoyl]phenyl]butan-1-one?
The IUPAC name of 4-(dimethylamino)-1-[4-[4-(dimethylamino)butanoyl]phenyl]butan-1-one (CID 15284079) is 4-(dimethylamino)-1-[4-[4-(dimethylamino)butanoyl]phenyl]butan-1-one.
What is the SMILES notation for 4-(dimethylamino)-1-[4-[4-(dimethylamino)butanoyl]phenyl]butan-1-one?
The canonical SMILES for 4-(dimethylamino)-1-[4-[4-(dimethylamino)butanoyl]phenyl]butan-1-one is CN(C)CCCC(=O)c1ccc(C(=O)CCCN(C)C)cc1.
What is the InChIKey of 4-(dimethylamino)-1-[4-[4-(dimethylamino)butanoyl]phenyl]butan-1-one?
The InChIKey is FBQWIUBOHMMKNV-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H28N2O2/c1-19(2)13-5-7-17(21)15-9-11-16(12-10-15)18(22)8-6-14-20(3)4/h9-12H,5-8,13-14H2,1-4H3.
What are the key properties of 4-(dimethylamino)-1-[4-[4-(dimethylamino)butanoyl]phenyl]butan-1-one?
4-(dimethylamino)-1-[4-[4-(dimethylamino)butanoyl]phenyl]butan-1-one has a molecular weight of 304.43 g/mol, XLogP of 2.74, 10 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(dimethylamino)-1-[4-[4-(dimethylamino)butanoyl]phenyl]butan-1-one is sourced from PubChem (CID 15284079), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).