N-[2-[[4-[2-(dimethylamino)ethoxy]phenyl]methylamino]-2-oxoethyl]-3,4-diethoxybenzamide

C24H33N3O5 — CID 55857985

IUPACN-[2-[[4-[2-(dimethylamino)ethoxy]phenyl]methylamino]-2-oxoethyl]-3,4-diethoxybenzamide
SMILESCCOc1ccc(C(=O)NCC(=O)NCc2ccc(OCCN(C)C)cc2)cc1OCC
InChIInChI=1S/C24H33N3O5/c1-5-30-21-12-9-19(15-22(21)31-6-2)24(29)26-17-23(28)25-16-18-7-10-20(11-8-18)32-14-13-27(3)4/h7-12,15H,5-6,13-14,16-17H2,1-4H3,(H,25,28)(H,26,29)
InChIKeyAXJNVFODVCZVOS-UHFFFAOYSA-N
MW443.54 g/mol
LogP2.47
Rot. Bonds13

About N-[2-[[4-[2-(dimethylamino)ethoxy]phenyl]methylamino]-2-oxoethyl]-3,4-diethoxybenzamide

N-[2-[[4-[2-(dimethylamino)ethoxy]phenyl]methylamino]-2-oxoethyl]-3,4-diethoxybenzamide (PubChem CID 55857985) has the molecular formula C24H33N3O5 and a molecular weight of 443.54 g/mol. Its IUPAC name is N-[2-[[4-[2-(dimethylamino)ethoxy]phenyl]methylamino]-2-oxoethyl]-3,4-diethoxybenzamide.

Molecular Properties

Compound NameN-[2-[[4-[2-(dimethylamino)ethoxy]phenyl]methylamino]-2-oxoethyl]-3,4-diethoxybenzamide
PubChem CID55857985
Molecular FormulaC24H33N3O5
Molecular Weight443.54 g/mol
Exact Mass443.24
IUPAC NameN-[2-[[4-[2-(dimethylamino)ethoxy]phenyl]methylamino]-2-oxoethyl]-3,4-diethoxybenzamide
SMILESCCOc1ccc(C(=O)NCC(=O)NCc2ccc(OCCN(C)C)cc2)cc1OCC
InChIInChI=1S/C24H33N3O5/c1-5-30-21-12-9-19(15-22(21)31-6-2)24(29)26-17-23(28)25-16-18-7-10-20(11-8-18)32-14-13-27(3)4/h7-12,15H,5-6,13-14,16-17H2,1-4H3,(H,25,28)(H,26,29)
InChIKeyAXJNVFODVCZVOS-UHFFFAOYSA-N
XLogP2.47
TPSA89.13 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds13
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500443.54
LogP ≤ 52.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

4-butoxy-N-[[4-[2-(dimethylamino)ethoxy]phenyl]methyl]benzamide
CID 15136982
4-tert-butyl-N-[[4-[2-(dimethylamino)ethoxy]phenyl]methyl]benzamide
CID 15136995
N-[2-[(4-chlorophenyl)methylamino]-2-oxoethyl]-4-ethoxybenzamide
CID 27660429
3,4-diethoxy-N-[2-[2-(4-methoxyphenyl)ethylamino]-2-oxoethyl]benzamide
CID 18206885
4-[[[2-[(4-ethoxybenzoyl)amino]acetyl]amino]methyl]-N-methyl-N-propan-2-ylbenzamide
CID 55636040
3,4-diethoxy-N-[2-[(5-ethylthiophen-2-yl)methylamino]-2-oxoethyl]benzamide
CID 46466415
2-cyano-N-[[4-[2-(dimethylamino)ethoxy]phenyl]methyl]acetamide
CID 20993633
N-[2-[[4-(dimethylcarbamoyl)phenyl]methylamino]-2-oxoethyl]-3,4-dimethoxybenzamide
CID 46529829
N-[[4-[2-(dimethylamino)ethoxy]phenyl]methyl]-2-methyl-1,3-dioxoisoindole-5-carboxamide
CID 55858752
4-[2-(dimethylamino)ethoxy]-N-ethylbenzamide
CID 110465146
2-amino-N-[[4-[3-(dimethylamino)propoxy]phenyl]methyl]acetamide
CID 83332704
4-ethoxy-N-[2-[(4-nitrophenyl)methylamino]-2-oxoethyl]benzamide
CID 60552577

Frequently Asked Questions

What is the IUPAC name of N-[2-[[4-[2-(dimethylamino)ethoxy]phenyl]methylamino]-2-oxoethyl]-3,4-diethoxybenzamide?
The IUPAC name of N-[2-[[4-[2-(dimethylamino)ethoxy]phenyl]methylamino]-2-oxoethyl]-3,4-diethoxybenzamide (CID 55857985) is N-[2-[[4-[2-(dimethylamino)ethoxy]phenyl]methylamino]-2-oxoethyl]-3,4-diethoxybenzamide.
What is the SMILES notation for N-[2-[[4-[2-(dimethylamino)ethoxy]phenyl]methylamino]-2-oxoethyl]-3,4-diethoxybenzamide?
The canonical SMILES for N-[2-[[4-[2-(dimethylamino)ethoxy]phenyl]methylamino]-2-oxoethyl]-3,4-diethoxybenzamide is CCOc1ccc(C(=O)NCC(=O)NCc2ccc(OCCN(C)C)cc2)cc1OCC.
What is the InChIKey of N-[2-[[4-[2-(dimethylamino)ethoxy]phenyl]methylamino]-2-oxoethyl]-3,4-diethoxybenzamide?
The InChIKey is AXJNVFODVCZVOS-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H33N3O5/c1-5-30-21-12-9-19(15-22(21)31-6-2)24(29)26-17-23(28)25-16-18-7-10-20(11-8-18)32-14-13-27(3)4/h7-12,15H,5-6,13-14,16-17H2,1-4H3,(H,25,28)(H,26,29).
What are the key properties of N-[2-[[4-[2-(dimethylamino)ethoxy]phenyl]methylamino]-2-oxoethyl]-3,4-diethoxybenzamide?
N-[2-[[4-[2-(dimethylamino)ethoxy]phenyl]methylamino]-2-oxoethyl]-3,4-diethoxybenzamide has a molecular weight of 443.54 g/mol, XLogP of 2.47, 13 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[[4-[2-(dimethylamino)ethoxy]phenyl]methylamino]-2-oxoethyl]-3,4-diethoxybenzamide is sourced from PubChem (CID 55857985), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).