2-(dibutylamino)-1-(4-methoxyphenyl)-2-methylpropan-1-one

C19H31NO2 — CID 19879504

IUPAC2-(dibutylamino)-1-(4-methoxyphenyl)-2-methylpropan-1-one
SMILESCCCCN(CCCC)C(C)(C)C(=O)c1ccc(OC)cc1
InChIInChI=1S/C19H31NO2/c1-6-8-14-20(15-9-7-2)19(3,4)18(21)16-10-12-17(22-5)13-11-16/h10-13H,6-9,14-15H2,1-5H3
InChIKeyOKXDLQPXXSWFBD-UHFFFAOYSA-N
MW305.46 g/mol
LogP4.56
Rot. Bonds10

About 2-(dibutylamino)-1-(4-methoxyphenyl)-2-methylpropan-1-one

2-(dibutylamino)-1-(4-methoxyphenyl)-2-methylpropan-1-one (PubChem CID 19879504) has the molecular formula C19H31NO2 and a molecular weight of 305.46 g/mol. Its IUPAC name is 2-(dibutylamino)-1-(4-methoxyphenyl)-2-methylpropan-1-one.

Molecular Properties

Compound Name2-(dibutylamino)-1-(4-methoxyphenyl)-2-methylpropan-1-one
PubChem CID19879504
Molecular FormulaC19H31NO2
Molecular Weight305.46 g/mol
Exact Mass305.24
IUPAC Name2-(dibutylamino)-1-(4-methoxyphenyl)-2-methylpropan-1-one
SMILESCCCCN(CCCC)C(C)(C)C(=O)c1ccc(OC)cc1
InChIInChI=1S/C19H31NO2/c1-6-8-14-20(15-9-7-2)19(3,4)18(21)16-10-12-17(22-5)13-11-16/h10-13H,6-9,14-15H2,1-5H3
InChIKeyOKXDLQPXXSWFBD-UHFFFAOYSA-N
XLogP4.56
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.46
LogP ≤ 54.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-(dibutylamino)-1-[4-[[4-[2-(dibutylamino)-2-methylpropanoyl]phenyl]methoxymethyl]phenyl]-2-methylpropan-1-one
CID 141225671
N,N-dibutyl-4-methoxybenzamide
CID 2163395
N-butyl-N-(3,3-dimethylbutyl)-4-methoxybenzamide
CID 18736088
2-(diethylamino)-2-methyl-1-(4-propoxyphenyl)propan-1-one
CID 79053644
2,2-diamino-1-(4-methoxyphenyl)pentan-1-one
CID 163211686
(2S,3S)-2,3-dihydroxy-2,3-bis(4-methoxybenzoyl)butanedioic acid
CID 66875563
4-methoxy-N-pentylbenzamide
CID 3113360
2,2-dimethylpropane;1-(4-methoxyphenyl)propan-1-one
CID 143304952
1-(4-methoxyphenyl)nonan-1-one
CID 3628625
1-(4-methoxyphenyl)tetradecan-1-one
CID 4168978
1-(4-methoxyphenyl)hexane-1,2-dione
CID 122382011
N-hexyl-4-methoxy(11C)benzamide
CID 177422178

Frequently Asked Questions

What is the IUPAC name of 2-(dibutylamino)-1-(4-methoxyphenyl)-2-methylpropan-1-one?
The IUPAC name of 2-(dibutylamino)-1-(4-methoxyphenyl)-2-methylpropan-1-one (CID 19879504) is 2-(dibutylamino)-1-(4-methoxyphenyl)-2-methylpropan-1-one.
What is the SMILES notation for 2-(dibutylamino)-1-(4-methoxyphenyl)-2-methylpropan-1-one?
The canonical SMILES for 2-(dibutylamino)-1-(4-methoxyphenyl)-2-methylpropan-1-one is CCCCN(CCCC)C(C)(C)C(=O)c1ccc(OC)cc1.
What is the InChIKey of 2-(dibutylamino)-1-(4-methoxyphenyl)-2-methylpropan-1-one?
The InChIKey is OKXDLQPXXSWFBD-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H31NO2/c1-6-8-14-20(15-9-7-2)19(3,4)18(21)16-10-12-17(22-5)13-11-16/h10-13H,6-9,14-15H2,1-5H3.
What are the key properties of 2-(dibutylamino)-1-(4-methoxyphenyl)-2-methylpropan-1-one?
2-(dibutylamino)-1-(4-methoxyphenyl)-2-methylpropan-1-one has a molecular weight of 305.46 g/mol, XLogP of 4.56, 10 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(dibutylamino)-1-(4-methoxyphenyl)-2-methylpropan-1-one is sourced from PubChem (CID 19879504), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).