1-[4-(dimethylamino)phenyl]-2-[[3-[[2-[4-(dimethylamino)phenyl]-2-oxoethyl]iminomethyl]-5-methoxyphenyl]methylideneamino]ethanone

C29H32N4O3 — CID 159822697

IUPAC1-[4-(dimethylamino)phenyl]-2-[[3-[[2-[4-(dimethylamino)phenyl]-2-oxoethyl]iminomethyl]-5-methoxyphenyl]methylideneamino]ethanone
SMILESCOc1cc(/C=N/CC(=O)c2ccc(N(C)C)cc2)cc(/C=N/CC(=O)c2ccc(N(C)C)cc2)c1
InChIInChI=1S/C29H32N4O3/c1-32(2)25-10-6-23(7-11-25)28(34)19-30-17-21-14-22(16-27(15-21)36-5)18-31-20-29(35)24-8-12-26(13-9-24)33(3)4/h6-18H,19-20H2,1-5H3/b30-17+,31-18+
InChIKeyNMLFITONQJHCAT-HRTPUDOWSA-N
MW484.60 g/mol
LogP4.43
Rot. Bonds11

About 1-[4-(dimethylamino)phenyl]-2-[[3-[[2-[4-(dimethylamino)phenyl]-2-oxoethyl]iminomethyl]-5-methoxyphenyl]methylideneamino]ethanone

1-[4-(dimethylamino)phenyl]-2-[[3-[[2-[4-(dimethylamino)phenyl]-2-oxoethyl]iminomethyl]-5-methoxyphenyl]methylideneamino]ethanone (PubChem CID 159822697) has the molecular formula C29H32N4O3 and a molecular weight of 484.60 g/mol. Its IUPAC name is 1-[4-(dimethylamino)phenyl]-2-[[3-[[2-[4-(dimethylamino)phenyl]-2-oxoethyl]iminomethyl]-5-methoxyphenyl]methylideneamino]ethanone.

Molecular Properties

Compound Name1-[4-(dimethylamino)phenyl]-2-[[3-[[2-[4-(dimethylamino)phenyl]-2-oxoethyl]iminomethyl]-5-methoxyphenyl]methylideneamino]ethanone
PubChem CID159822697
Molecular FormulaC29H32N4O3
Molecular Weight484.60 g/mol
Exact Mass484.25
IUPAC Name1-[4-(dimethylamino)phenyl]-2-[[3-[[2-[4-(dimethylamino)phenyl]-2-oxoethyl]iminomethyl]-5-methoxyphenyl]methylideneamino]ethanone
SMILESCOc1cc(/C=N/CC(=O)c2ccc(N(C)C)cc2)cc(/C=N/CC(=O)c2ccc(N(C)C)cc2)c1
InChIInChI=1S/C29H32N4O3/c1-32(2)25-10-6-23(7-11-25)28(34)19-30-17-21-14-22(16-27(15-21)36-5)18-31-20-29(35)24-8-12-26(13-9-24)33(3)4/h6-18H,19-20H2,1-5H3/b30-17+,31-18+
InChIKeyNMLFITONQJHCAT-HRTPUDOWSA-N
XLogP4.43
TPSA74.57 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds11
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500484.60
LogP ≤ 54.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

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Related Compounds

1-[4-(dimethylamino)phenyl]-2-[[3-[[2-[4-(dimethylamino)phenyl]-2-oxoethyl]iminomethyl]-5-phenylmethoxyphenyl]methylamino]ethanone
CID 158437253
[2-(4-methoxyphenyl)-2-oxoethyl] 4-(dimethylamino)benzoate
CID 2346667
4-[2-(3,5-dimethoxyphenyl)ethenyl]-N,N-dimethylaniline
CID 85073346
(4-methoxyphenyl) 4-[[4-(dimethylamino)phenyl]iminomethyl]benzoate
CID 102305273
(2,4-dimethoxyphenyl)-[4-(dimethylamino)phenyl]methanone
CID 3243415
1-[4-(dimethylamino)phenyl]-2-[4-[4-[2-[4-(dimethylamino)phenyl]-2-oxoethyl]phenoxy]phenyl]ethanone
CID 149305974
1-[4-[[4-(dimethylamino)phenyl]diazenyl]phenyl]propan-1-one
CID 58678925
4-(dimethylamino)-N-(4-methoxyphenyl)benzamide
CID 867710
(E)-3-[4-(dimethylamino)phenyl]-2-(4-methoxybenzoyl)prop-2-enenitrile
CID 8685083
N-[(3,5-dimethoxyphenyl)methylideneamino]-4-fluorobenzamide
CID 2641916
2-azido-1-[6-(dimethylamino)naphthalen-2-yl]ethanone
CID 86052443
[2-[4-(dimethylamino)phenyl]-2-oxoethyl]-dimethylsulfanium bromide
CID 87971438

Frequently Asked Questions

What is the IUPAC name of 1-[4-(dimethylamino)phenyl]-2-[[3-[[2-[4-(dimethylamino)phenyl]-2-oxoethyl]iminomethyl]-5-methoxyphenyl]methylideneamino]ethanone?
The IUPAC name of 1-[4-(dimethylamino)phenyl]-2-[[3-[[2-[4-(dimethylamino)phenyl]-2-oxoethyl]iminomethyl]-5-methoxyphenyl]methylideneamino]ethanone (CID 159822697) is 1-[4-(dimethylamino)phenyl]-2-[[3-[[2-[4-(dimethylamino)phenyl]-2-oxoethyl]iminomethyl]-5-methoxyphenyl]methylideneamino]ethanone.
What is the SMILES notation for 1-[4-(dimethylamino)phenyl]-2-[[3-[[2-[4-(dimethylamino)phenyl]-2-oxoethyl]iminomethyl]-5-methoxyphenyl]methylideneamino]ethanone?
The canonical SMILES for 1-[4-(dimethylamino)phenyl]-2-[[3-[[2-[4-(dimethylamino)phenyl]-2-oxoethyl]iminomethyl]-5-methoxyphenyl]methylideneamino]ethanone is COc1cc(/C=N/CC(=O)c2ccc(N(C)C)cc2)cc(/C=N/CC(=O)c2ccc(N(C)C)cc2)c1.
What is the InChIKey of 1-[4-(dimethylamino)phenyl]-2-[[3-[[2-[4-(dimethylamino)phenyl]-2-oxoethyl]iminomethyl]-5-methoxyphenyl]methylideneamino]ethanone?
The InChIKey is NMLFITONQJHCAT-HRTPUDOWSA-N. The full InChI is InChI=1S/C29H32N4O3/c1-32(2)25-10-6-23(7-11-25)28(34)19-30-17-21-14-22(16-27(15-21)36-5)18-31-20-29(35)24-8-12-26(13-9-24)33(3)4/h6-18H,19-20H2,1-5H3/b30-17+,31-18+.
What are the key properties of 1-[4-(dimethylamino)phenyl]-2-[[3-[[2-[4-(dimethylamino)phenyl]-2-oxoethyl]iminomethyl]-5-methoxyphenyl]methylideneamino]ethanone?
1-[4-(dimethylamino)phenyl]-2-[[3-[[2-[4-(dimethylamino)phenyl]-2-oxoethyl]iminomethyl]-5-methoxyphenyl]methylideneamino]ethanone has a molecular weight of 484.60 g/mol, XLogP of 4.43, 11 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(dimethylamino)phenyl]-2-[[3-[[2-[4-(dimethylamino)phenyl]-2-oxoethyl]iminomethyl]-5-methoxyphenyl]methylideneamino]ethanone is sourced from PubChem (CID 159822697), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).