2-(dibutylamino)-1-[4-[[4-[2-(dibutylamino)-2-methylpropanoyl]phenyl]methoxymethyl]phenyl]-2-methylpropan-1-one

C38H60N2O3 — CID 141225671

IUPAC2-(dibutylamino)-1-[4-[[4-[2-(dibutylamino)-2-methylpropanoyl]phenyl]methoxymethyl]phenyl]-2-methylpropan-1-one
SMILESCCCCN(CCCC)C(C)(C)C(=O)c1ccc(COCc2ccc(C(=O)C(C)(C)N(CCCC)CCCC)cc2)cc1
InChIInChI=1S/C38H60N2O3/c1-9-13-25-39(26-14-10-2)37(5,6)35(41)33-21-17-31(18-22-33)29-43-30-32-19-23-34(24-20-32)36(42)38(7,8)40(27-15-11-3)28-16-12-4/h17-24H,9-16,25-30H2,1-8H3
InChIKeyWFMXLGQRHXFAPC-UHFFFAOYSA-N
MW592.91 g/mol
LogP9.13
Rot. Bonds22

About 2-(dibutylamino)-1-[4-[[4-[2-(dibutylamino)-2-methylpropanoyl]phenyl]methoxymethyl]phenyl]-2-methylpropan-1-one

2-(dibutylamino)-1-[4-[[4-[2-(dibutylamino)-2-methylpropanoyl]phenyl]methoxymethyl]phenyl]-2-methylpropan-1-one (PubChem CID 141225671) has the molecular formula C38H60N2O3 and a molecular weight of 592.91 g/mol. Its IUPAC name is 2-(dibutylamino)-1-[4-[[4-[2-(dibutylamino)-2-methylpropanoyl]phenyl]methoxymethyl]phenyl]-2-methylpropan-1-one.

Molecular Properties

Compound Name2-(dibutylamino)-1-[4-[[4-[2-(dibutylamino)-2-methylpropanoyl]phenyl]methoxymethyl]phenyl]-2-methylpropan-1-one
PubChem CID141225671
Molecular FormulaC38H60N2O3
Molecular Weight592.91 g/mol
Exact Mass592.46
IUPAC Name2-(dibutylamino)-1-[4-[[4-[2-(dibutylamino)-2-methylpropanoyl]phenyl]methoxymethyl]phenyl]-2-methylpropan-1-one
SMILESCCCCN(CCCC)C(C)(C)C(=O)c1ccc(COCc2ccc(C(=O)C(C)(C)N(CCCC)CCCC)cc2)cc1
InChIInChI=1S/C38H60N2O3/c1-9-13-25-39(26-14-10-2)37(5,6)35(41)33-21-17-31(18-22-33)29-43-30-32-19-23-34(24-20-32)36(42)38(7,8)40(27-15-11-3)28-16-12-4/h17-24H,9-16,25-30H2,1-8H3
InChIKeyWFMXLGQRHXFAPC-UHFFFAOYSA-N
XLogP9.13
TPSA49.85 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds22
Heavy Atoms43
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500592.91
LogP ≤ 59.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

2-[bis(2-methoxyethyl)amino]-1-[4-[[4-[2-[bis(2-methoxyethyl)amino]-2-methylpropanoyl]phenyl]methoxymethyl]phenyl]-2-methylpropan-1-one
CID 141225663
2-(dibutylamino)-1-(4-methoxyphenyl)-2-methylpropan-1-one
CID 19879504
2-hydroxy-1-[4-[[4-[[4-(2-hydroxy-2-methylpropanoyl)phenyl]methoxymethyl]phenyl]methoxymethyl]phenyl]-2-methylpropan-1-one
CID 68738644
2-hydroxy-1-[4-[6-[[4-(2-hydroxy-2-methylpropanoyl)phenyl]methoxy]hexoxymethyl]phenyl]-2-methylpropan-1-one
CID 91446599
2-hydroxy-1-[4-[10-[[4-(2-hydroxy-2-methylpropanoyl)phenyl]methoxy]decoxymethyl]phenyl]-2-methylpropan-1-one
CID 91546266
2-hydroxy-1-[4-[12-[[4-(2-hydroxy-2-methylpropanoyl)phenyl]methoxy]dodecoxymethyl]phenyl]-2-methylpropan-1-one
CID 68739413
2-hydroxy-1-[4-[2-[2-[2-[[4-(2-hydroxy-2-methylpropanoyl)phenyl]methoxy]ethoxy]ethoxy]ethoxymethyl]phenyl]-2-methylpropan-1-one
CID 68740379
1-[4-[2,3-bis[[4-(2,2-dimethylpropanoyl)phenyl]methoxy]propoxymethyl]phenyl]-2,2-dimethylpropan-1-one
CID 11801925
1-(4-hexylphenyl)-2,2-dimethylpropan-1-one
CID 59409785
1-butyl-4-[(4-butylphenyl)methoxymethyl]benzene
CID 21471119
1-(4-decylphenyl)-2-hydroxy-2-methylpropan-1-one
CID 22182131
2-[bis(2-methoxyethyl)amino]-2-methyl-1-(4-methylsulfinylphenyl)propan-1-one
CID 67924003

Frequently Asked Questions

What is the IUPAC name of 2-(dibutylamino)-1-[4-[[4-[2-(dibutylamino)-2-methylpropanoyl]phenyl]methoxymethyl]phenyl]-2-methylpropan-1-one?
The IUPAC name of 2-(dibutylamino)-1-[4-[[4-[2-(dibutylamino)-2-methylpropanoyl]phenyl]methoxymethyl]phenyl]-2-methylpropan-1-one (CID 141225671) is 2-(dibutylamino)-1-[4-[[4-[2-(dibutylamino)-2-methylpropanoyl]phenyl]methoxymethyl]phenyl]-2-methylpropan-1-one.
What is the SMILES notation for 2-(dibutylamino)-1-[4-[[4-[2-(dibutylamino)-2-methylpropanoyl]phenyl]methoxymethyl]phenyl]-2-methylpropan-1-one?
The canonical SMILES for 2-(dibutylamino)-1-[4-[[4-[2-(dibutylamino)-2-methylpropanoyl]phenyl]methoxymethyl]phenyl]-2-methylpropan-1-one is CCCCN(CCCC)C(C)(C)C(=O)c1ccc(COCc2ccc(C(=O)C(C)(C)N(CCCC)CCCC)cc2)cc1.
What is the InChIKey of 2-(dibutylamino)-1-[4-[[4-[2-(dibutylamino)-2-methylpropanoyl]phenyl]methoxymethyl]phenyl]-2-methylpropan-1-one?
The InChIKey is WFMXLGQRHXFAPC-UHFFFAOYSA-N. The full InChI is InChI=1S/C38H60N2O3/c1-9-13-25-39(26-14-10-2)37(5,6)35(41)33-21-17-31(18-22-33)29-43-30-32-19-23-34(24-20-32)36(42)38(7,8)40(27-15-11-3)28-16-12-4/h17-24H,9-16,25-30H2,1-8H3.
What are the key properties of 2-(dibutylamino)-1-[4-[[4-[2-(dibutylamino)-2-methylpropanoyl]phenyl]methoxymethyl]phenyl]-2-methylpropan-1-one?
2-(dibutylamino)-1-[4-[[4-[2-(dibutylamino)-2-methylpropanoyl]phenyl]methoxymethyl]phenyl]-2-methylpropan-1-one has a molecular weight of 592.91 g/mol, XLogP of 9.13, 22 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(dibutylamino)-1-[4-[[4-[2-(dibutylamino)-2-methylpropanoyl]phenyl]methoxymethyl]phenyl]-2-methylpropan-1-one is sourced from PubChem (CID 141225671), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).