N-[2-[[4-(diethylaminomethyl)phenyl]methylamino]-2-oxoethyl]-3,4,5-trimethoxybenzamide

C24H33N3O5 — CID 27332529

IUPACN-[2-[[4-(diethylaminomethyl)phenyl]methylamino]-2-oxoethyl]-3,4,5-trimethoxybenzamide
SMILESCCN(CC)Cc1ccc(CNC(=O)CNC(=O)c2cc(OC)c(OC)c(OC)c2)cc1
InChIInChI=1S/C24H33N3O5/c1-6-27(7-2)16-18-10-8-17(9-11-18)14-25-22(28)15-26-24(29)19-12-20(30-3)23(32-5)21(13-19)31-4/h8-13H,6-7,14-16H2,1-5H3,(H,25,28)(H,26,29)
InChIKeyWMVHQOQOAJIYEK-UHFFFAOYSA-N
MW443.54 g/mol
LogP2.60
Rot. Bonds12

About N-[2-[[4-(diethylaminomethyl)phenyl]methylamino]-2-oxoethyl]-3,4,5-trimethoxybenzamide

N-[2-[[4-(diethylaminomethyl)phenyl]methylamino]-2-oxoethyl]-3,4,5-trimethoxybenzamide (PubChem CID 27332529) has the molecular formula C24H33N3O5 and a molecular weight of 443.54 g/mol. Its IUPAC name is N-[2-[[4-(diethylaminomethyl)phenyl]methylamino]-2-oxoethyl]-3,4,5-trimethoxybenzamide.

Molecular Properties

Compound NameN-[2-[[4-(diethylaminomethyl)phenyl]methylamino]-2-oxoethyl]-3,4,5-trimethoxybenzamide
PubChem CID27332529
Molecular FormulaC24H33N3O5
Molecular Weight443.54 g/mol
Exact Mass443.24
IUPAC NameN-[2-[[4-(diethylaminomethyl)phenyl]methylamino]-2-oxoethyl]-3,4,5-trimethoxybenzamide
SMILESCCN(CC)Cc1ccc(CNC(=O)CNC(=O)c2cc(OC)c(OC)c(OC)c2)cc1
InChIInChI=1S/C24H33N3O5/c1-6-27(7-2)16-18-10-8-17(9-11-18)14-25-22(28)15-26-24(29)19-12-20(30-3)23(32-5)21(13-19)31-4/h8-13H,6-7,14-16H2,1-5H3,(H,25,28)(H,26,29)
InChIKeyWMVHQOQOAJIYEK-UHFFFAOYSA-N
XLogP2.60
TPSA89.13 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds12
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500443.54
LogP ≤ 52.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

N-[[4-(diethylaminomethyl)phenyl]methyl]-4-ethoxy-3-methoxybenzamide
CID 8948247
2-(5-acetyl-2-methoxyphenyl)-N-[[4-(diethylaminomethyl)phenyl]methyl]acetamide
CID 18118896
N-[2-[(3,5-difluorophenyl)methylamino]-2-oxoethyl]-3,4,5-trimethoxybenzamide
CID 55596801
N-[[4-(diethylaminomethyl)phenyl]methyl]-2-(methylamino)acetamide
CID 61259556
N-[2-[[4-(dimethylcarbamoyl)phenyl]methylamino]-2-oxoethyl]-3,4-dimethoxybenzamide
CID 46529829
N-[[4-(diethylaminomethyl)phenyl]methyl]-4-methoxybenzamide
CID 8947686
N-[2-[2-(4-chlorophenyl)ethylamino]-2-oxoethyl]-3,4,5-trimethoxybenzamide
CID 27646735
N-[[4-[2-(dipropylamino)ethoxy]phenyl]methyl]-3,4,5-trimethoxybenzamide
CID 14796219
N-[2-[3-(dimethylamino)propylamino]-2-oxoethyl]-3,4,5-trimethoxybenzamide
CID 112991569
3,4,5-trimethoxy-N-[2-[[2-(methoxymethyl)phenyl]methylamino]-2-oxoethyl]benzamide
CID 30855829
N-[2-oxo-2-[(3,4,5-trimethoxyphenyl)methylamino]ethyl]-4-phenylbenzamide
CID 36936630
N-[2-[[4-(diethylaminomethyl)phenyl]methylamino]-2-oxoethyl]-2-naphthalen-1-ylacetamide
CID 8948128

Frequently Asked Questions

What is the IUPAC name of N-[2-[[4-(diethylaminomethyl)phenyl]methylamino]-2-oxoethyl]-3,4,5-trimethoxybenzamide?
The IUPAC name of N-[2-[[4-(diethylaminomethyl)phenyl]methylamino]-2-oxoethyl]-3,4,5-trimethoxybenzamide (CID 27332529) is N-[2-[[4-(diethylaminomethyl)phenyl]methylamino]-2-oxoethyl]-3,4,5-trimethoxybenzamide.
What is the SMILES notation for N-[2-[[4-(diethylaminomethyl)phenyl]methylamino]-2-oxoethyl]-3,4,5-trimethoxybenzamide?
The canonical SMILES for N-[2-[[4-(diethylaminomethyl)phenyl]methylamino]-2-oxoethyl]-3,4,5-trimethoxybenzamide is CCN(CC)Cc1ccc(CNC(=O)CNC(=O)c2cc(OC)c(OC)c(OC)c2)cc1.
What is the InChIKey of N-[2-[[4-(diethylaminomethyl)phenyl]methylamino]-2-oxoethyl]-3,4,5-trimethoxybenzamide?
The InChIKey is WMVHQOQOAJIYEK-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H33N3O5/c1-6-27(7-2)16-18-10-8-17(9-11-18)14-25-22(28)15-26-24(29)19-12-20(30-3)23(32-5)21(13-19)31-4/h8-13H,6-7,14-16H2,1-5H3,(H,25,28)(H,26,29).
What are the key properties of N-[2-[[4-(diethylaminomethyl)phenyl]methylamino]-2-oxoethyl]-3,4,5-trimethoxybenzamide?
N-[2-[[4-(diethylaminomethyl)phenyl]methylamino]-2-oxoethyl]-3,4,5-trimethoxybenzamide has a molecular weight of 443.54 g/mol, XLogP of 2.60, 12 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[[4-(diethylaminomethyl)phenyl]methylamino]-2-oxoethyl]-3,4,5-trimethoxybenzamide is sourced from PubChem (CID 27332529), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).