bis(4-methoxyphenyl)methanone;N-[bis(4-methoxyphenyl)methyl]propan-2-amine

C33H37NO5 — CID 160668964

IUPACbis(4-methoxyphenyl)methanone;N-[bis(4-methoxyphenyl)methyl]propan-2-amine
SMILESCOc1ccc(C(=O)c2ccc(OC)cc2)cc1.COc1ccc(C(NC(C)C)c2ccc(OC)cc2)cc1
InChIInChI=1S/C18H23NO2.C15H14O3/c1-13(2)19-18(14-5-9-16(20-3)10-6-14)15-7-11-17(21-4)12-8-15;1-17-13-7-3-11(4-8-13)15(16)12-5-9-14(18-2)10-6-12/h5-13,18-19H,1-4H3;3-10H,1-2H3
InChIKeyRMRGDKJOWBNCQM-UHFFFAOYSA-N
MW527.66 g/mol
LogP6.73
Rot. Bonds10

About bis(4-methoxyphenyl)methanone;N-[bis(4-methoxyphenyl)methyl]propan-2-amine

bis(4-methoxyphenyl)methanone;N-[bis(4-methoxyphenyl)methyl]propan-2-amine (PubChem CID 160668964) has the molecular formula C33H37NO5 and a molecular weight of 527.66 g/mol. Its IUPAC name is bis(4-methoxyphenyl)methanone;N-[bis(4-methoxyphenyl)methyl]propan-2-amine.

Molecular Properties

Compound Namebis(4-methoxyphenyl)methanone;N-[bis(4-methoxyphenyl)methyl]propan-2-amine
PubChem CID160668964
Molecular FormulaC33H37NO5
Molecular Weight527.66 g/mol
Exact Mass527.27
IUPAC Namebis(4-methoxyphenyl)methanone;N-[bis(4-methoxyphenyl)methyl]propan-2-amine
SMILESCOc1ccc(C(=O)c2ccc(OC)cc2)cc1.COc1ccc(C(NC(C)C)c2ccc(OC)cc2)cc1
InChIInChI=1S/C18H23NO2.C15H14O3/c1-13(2)19-18(14-5-9-16(20-3)10-6-14)15-7-11-17(21-4)12-8-15;1-17-13-7-3-11(4-8-13)15(16)12-5-9-14(18-2)10-6-12/h5-13,18-19H,1-4H3;3-10H,1-2H3
InChIKeyRMRGDKJOWBNCQM-UHFFFAOYSA-N
XLogP6.73
TPSA66.02 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds10
Heavy Atoms39
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500527.66
LogP ≤ 56.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

[4-[4-(4-methoxybenzoyl)benzoyl]phenyl]-(4-methylphenyl)methanone
CID 90306891
1-N,4-N-bis[(1S)-1-(4-methoxyphenyl)ethyl]benzene-1,4-dicarboxamide
CID 2211003
(4-methoxyphenyl)-[4-(2-methylpropoxy)phenyl]methanone
CID 5023093
(4-bromophenyl)-(4-methoxyphenyl)methanone
CID 794333
methane;(4-methoxyphenyl)-(4-methylphenyl)methanone
CID 161368875
(2S)-1-(4-methoxyphenyl)-2-(methylamino)propan-1-one
CID 51371469
(3,4-dichlorophenyl)-(4-methoxyphenyl)methanone
CID 2758123
2-(4-methoxyphenyl)-N-propan-2-ylpropanamide
CID 154459065
(2S)-1,2-bis(4-methoxyphenyl)-3-methylbutan-1-one
CID 125480635
2-(4-methoxyphenyl)-2-[[4-(propan-2-ylcarbamoyl)benzoyl]amino]acetic acid
CID 120530324
(4-hydroxyphenyl)-[4-[4-[4-[4-(4-methoxybenzoyl)benzoyl]phenoxy]benzoyl]phenyl]methanone
CID 140957067
4-(4-methoxybenzoyl)benzaldehyde
CID 56593020

Frequently Asked Questions

What is the IUPAC name of bis(4-methoxyphenyl)methanone;N-[bis(4-methoxyphenyl)methyl]propan-2-amine?
The IUPAC name of bis(4-methoxyphenyl)methanone;N-[bis(4-methoxyphenyl)methyl]propan-2-amine (CID 160668964) is bis(4-methoxyphenyl)methanone;N-[bis(4-methoxyphenyl)methyl]propan-2-amine.
What is the SMILES notation for bis(4-methoxyphenyl)methanone;N-[bis(4-methoxyphenyl)methyl]propan-2-amine?
The canonical SMILES for bis(4-methoxyphenyl)methanone;N-[bis(4-methoxyphenyl)methyl]propan-2-amine is COc1ccc(C(=O)c2ccc(OC)cc2)cc1.COc1ccc(C(NC(C)C)c2ccc(OC)cc2)cc1.
What is the InChIKey of bis(4-methoxyphenyl)methanone;N-[bis(4-methoxyphenyl)methyl]propan-2-amine?
The InChIKey is RMRGDKJOWBNCQM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23NO2.C15H14O3/c1-13(2)19-18(14-5-9-16(20-3)10-6-14)15-7-11-17(21-4)12-8-15;1-17-13-7-3-11(4-8-13)15(16)12-5-9-14(18-2)10-6-12/h5-13,18-19H,1-4H3;3-10H,1-2H3.
What are the key properties of bis(4-methoxyphenyl)methanone;N-[bis(4-methoxyphenyl)methyl]propan-2-amine?
bis(4-methoxyphenyl)methanone;N-[bis(4-methoxyphenyl)methyl]propan-2-amine has a molecular weight of 527.66 g/mol, XLogP of 6.73, 10 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for bis(4-methoxyphenyl)methanone;N-[bis(4-methoxyphenyl)methyl]propan-2-amine is sourced from PubChem (CID 160668964), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).