N-[2-(dimethylamino)-2-(furan-2-yl)ethyl]-3-methoxy-4-[2-(2-methoxyanilino)-2-oxoethoxy]benzamide

C25H29N3O6 — CID 55332179

IUPACN-[2-(dimethylamino)-2-(furan-2-yl)ethyl]-3-methoxy-4-[2-(2-methoxyanilino)-2-oxoethoxy]benzamide
SMILESCOc1ccccc1NC(=O)COc1ccc(C(=O)NCC(c2ccco2)N(C)C)cc1OC
InChIInChI=1S/C25H29N3O6/c1-28(2)19(21-10-7-13-33-21)15-26-25(30)17-11-12-22(23(14-17)32-4)34-16-24(29)27-18-8-5-6-9-20(18)31-3/h5-14,19H,15-16H2,1-4H3,(H,26,30)(H,27,29)
InChIKeyZSMIXNLNNAMJKI-UHFFFAOYSA-N
MW467.52 g/mol
LogP3.35
Rot. Bonds11

About N-[2-(dimethylamino)-2-(furan-2-yl)ethyl]-3-methoxy-4-[2-(2-methoxyanilino)-2-oxoethoxy]benzamide

N-[2-(dimethylamino)-2-(furan-2-yl)ethyl]-3-methoxy-4-[2-(2-methoxyanilino)-2-oxoethoxy]benzamide (PubChem CID 55332179) has the molecular formula C25H29N3O6 and a molecular weight of 467.52 g/mol. Its IUPAC name is N-[2-(dimethylamino)-2-(furan-2-yl)ethyl]-3-methoxy-4-[2-(2-methoxyanilino)-2-oxoethoxy]benzamide.

Molecular Properties

Compound NameN-[2-(dimethylamino)-2-(furan-2-yl)ethyl]-3-methoxy-4-[2-(2-methoxyanilino)-2-oxoethoxy]benzamide
PubChem CID55332179
Molecular FormulaC25H29N3O6
Molecular Weight467.52 g/mol
Exact Mass467.21
IUPAC NameN-[2-(dimethylamino)-2-(furan-2-yl)ethyl]-3-methoxy-4-[2-(2-methoxyanilino)-2-oxoethoxy]benzamide
SMILESCOc1ccccc1NC(=O)COc1ccc(C(=O)NCC(c2ccco2)N(C)C)cc1OC
InChIInChI=1S/C25H29N3O6/c1-28(2)19(21-10-7-13-33-21)15-26-25(30)17-11-12-22(23(14-17)32-4)34-16-24(29)27-18-8-5-6-9-20(18)31-3/h5-14,19H,15-16H2,1-4H3,(H,26,30)(H,27,29)
InChIKeyZSMIXNLNNAMJKI-UHFFFAOYSA-N
XLogP3.35
TPSA102.27 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds11
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500467.52
LogP ≤ 53.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

N-[2-(dimethylamino)-2-(furan-2-yl)ethyl]-4-ethoxy-3-methoxybenzamide
CID 51162709
N-benzyl-3-methoxy-4-[2-(2-methoxyanilino)-2-oxoethoxy]benzamide
CID 9114511
(3R)-3-[[(2R)-2-(dimethylamino)-2-(furan-2-yl)ethyl]amino]-N-(2-methoxyphenyl)butanamide
CID 9454002
2-(3,4-dimethoxyphenyl)-N-[(2S)-2-(dimethylamino)-2-(furan-2-yl)ethyl]acetamide
CID 41453426
3-[[2-(dimethylamino)-2-(furan-2-yl)ethyl]carbamoylamino]-4-methoxy-N,N-dimethylbenzamide
CID 60543252
N-[2-(dimethylamino)-2-(furan-2-yl)ethyl]-2-(2-methylphenoxy)acetamide
CID 19114396
N-[(2S)-2-(dimethylamino)-2-(furan-2-yl)ethyl]-2-(2-methylphenoxy)acetamide
CID 26819035
N-[2-(benzylamino)-2-oxoethyl]-3-methoxy-4-[2-(2-methoxyanilino)-2-oxoethoxy]benzamide
CID 55676193
ethyl N-[2-[[3-methoxy-4-[2-(2-methoxyanilino)-2-oxoethoxy]benzoyl]amino]ethyl]carbamate
CID 56558869
N-[2-(furan-2-yl)-2-hydroxyethyl]-3,4-dimethoxybenzamide
CID 78867802
3-methoxy-4-[2-(2-methoxyanilino)-2-oxoethoxy]-N-[(4-propan-2-yloxyphenyl)methyl]benzamide
CID 46593010
3-methoxy-4-[2-(2-methoxyanilino)-2-oxoethoxy]-N-[[(2S)-oxolan-2-yl]methyl]benzamide
CID 9169667

Frequently Asked Questions

What is the IUPAC name of N-[2-(dimethylamino)-2-(furan-2-yl)ethyl]-3-methoxy-4-[2-(2-methoxyanilino)-2-oxoethoxy]benzamide?
The IUPAC name of N-[2-(dimethylamino)-2-(furan-2-yl)ethyl]-3-methoxy-4-[2-(2-methoxyanilino)-2-oxoethoxy]benzamide (CID 55332179) is N-[2-(dimethylamino)-2-(furan-2-yl)ethyl]-3-methoxy-4-[2-(2-methoxyanilino)-2-oxoethoxy]benzamide.
What is the SMILES notation for N-[2-(dimethylamino)-2-(furan-2-yl)ethyl]-3-methoxy-4-[2-(2-methoxyanilino)-2-oxoethoxy]benzamide?
The canonical SMILES for N-[2-(dimethylamino)-2-(furan-2-yl)ethyl]-3-methoxy-4-[2-(2-methoxyanilino)-2-oxoethoxy]benzamide is COc1ccccc1NC(=O)COc1ccc(C(=O)NCC(c2ccco2)N(C)C)cc1OC.
What is the InChIKey of N-[2-(dimethylamino)-2-(furan-2-yl)ethyl]-3-methoxy-4-[2-(2-methoxyanilino)-2-oxoethoxy]benzamide?
The InChIKey is ZSMIXNLNNAMJKI-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H29N3O6/c1-28(2)19(21-10-7-13-33-21)15-26-25(30)17-11-12-22(23(14-17)32-4)34-16-24(29)27-18-8-5-6-9-20(18)31-3/h5-14,19H,15-16H2,1-4H3,(H,26,30)(H,27,29).
What are the key properties of N-[2-(dimethylamino)-2-(furan-2-yl)ethyl]-3-methoxy-4-[2-(2-methoxyanilino)-2-oxoethoxy]benzamide?
N-[2-(dimethylamino)-2-(furan-2-yl)ethyl]-3-methoxy-4-[2-(2-methoxyanilino)-2-oxoethoxy]benzamide has a molecular weight of 467.52 g/mol, XLogP of 3.35, 11 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(dimethylamino)-2-(furan-2-yl)ethyl]-3-methoxy-4-[2-(2-methoxyanilino)-2-oxoethoxy]benzamide is sourced from PubChem (CID 55332179), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).