N-[[4-[2-(ethylamino)-2-oxoethoxy]-3-methoxyphenyl]methyl]-3-(2,3,4-trimethoxyphenyl)propanamide

C24H32N2O7 — CID 55881030

IUPACN-[[4-[2-(ethylamino)-2-oxoethoxy]-3-methoxyphenyl]methyl]-3-(2,3,4-trimethoxyphenyl)propanamide
SMILESCCNC(=O)COc1ccc(CNC(=O)CCc2ccc(OC)c(OC)c2OC)cc1OC
InChIInChI=1S/C24H32N2O7/c1-6-25-22(28)15-33-18-10-7-16(13-20(18)30-3)14-26-21(27)12-9-17-8-11-19(29-2)24(32-5)23(17)31-4/h7-8,10-11,13H,6,9,12,14-15H2,1-5H3,(H,25,28)(H,26,27)
InChIKeyUJQDTUGXGVQHLQ-UHFFFAOYSA-N
MW460.53 g/mol
LogP2.48
Rot. Bonds13

About N-[[4-[2-(ethylamino)-2-oxoethoxy]-3-methoxyphenyl]methyl]-3-(2,3,4-trimethoxyphenyl)propanamide

N-[[4-[2-(ethylamino)-2-oxoethoxy]-3-methoxyphenyl]methyl]-3-(2,3,4-trimethoxyphenyl)propanamide (PubChem CID 55881030) has the molecular formula C24H32N2O7 and a molecular weight of 460.53 g/mol. Its IUPAC name is N-[[4-[2-(ethylamino)-2-oxoethoxy]-3-methoxyphenyl]methyl]-3-(2,3,4-trimethoxyphenyl)propanamide.

Molecular Properties

Compound NameN-[[4-[2-(ethylamino)-2-oxoethoxy]-3-methoxyphenyl]methyl]-3-(2,3,4-trimethoxyphenyl)propanamide
PubChem CID55881030
Molecular FormulaC24H32N2O7
Molecular Weight460.53 g/mol
Exact Mass460.22
IUPAC NameN-[[4-[2-(ethylamino)-2-oxoethoxy]-3-methoxyphenyl]methyl]-3-(2,3,4-trimethoxyphenyl)propanamide
SMILESCCNC(=O)COc1ccc(CNC(=O)CCc2ccc(OC)c(OC)c2OC)cc1OC
InChIInChI=1S/C24H32N2O7/c1-6-25-22(28)15-33-18-10-7-16(13-20(18)30-3)14-26-21(27)12-9-17-8-11-19(29-2)24(32-5)23(17)31-4/h7-8,10-11,13H,6,9,12,14-15H2,1-5H3,(H,25,28)(H,26,27)
InChIKeyUJQDTUGXGVQHLQ-UHFFFAOYSA-N
XLogP2.48
TPSA104.35 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds13
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500460.53
LogP ≤ 52.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

ethyl N-[3-[[4-[2-(ethylamino)-2-oxoethoxy]-3-methoxyphenyl]methylamino]-3-oxopropyl]carbamate
CID 55745890
N-[[4-[2-(ethylamino)-2-oxoethoxy]-3-methoxyphenyl]methyl]-2-(5,6,7,8-tetrahydronaphthalen-2-yl)acetamide
CID 55745756
N-[(3,5-dimethoxyphenyl)methyl]-3-(2,3,4-trimethoxyphenyl)propanamide
CID 55870487
N-[(3,4-dimethoxyphenyl)methyl]-2-(2-methoxyphenoxy)acetamide
CID 7928589
3-(4-ethoxy-3-methoxyphenyl)-N-ethylpropanamide
CID 58655084
N-ethyl-2-[2-methoxy-4-[[(N'-methylcarbamimidoyl)amino]methyl]phenoxy]acetamide;hydroiodide
CID 110915872
2-[4-[[[(2R)-butan-2-yl]amino]methyl]-2-methoxyphenoxy]-N-ethylacetamide
CID 94458976
3-amino-N-[[4-[2-(ethylamino)-2-oxoethoxy]-3-methoxyphenyl]methyl]-3-phenylpropanamide
CID 119949555
N-[(4-phenylmethoxyphenyl)methyl]-3-(2,3,4-trimethoxyphenyl)propanamide
CID 55871682
N-[[4-[2-(ethylamino)-2-oxoethoxy]-3-methoxyphenyl]methyl]-3-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)propanamide
CID 55745979
N-ethyl-2-[2-methoxy-4-[[[(2R)-pentan-2-yl]amino]methyl]phenoxy]acetamide
CID 95901020
N-ethyl-2-[4-[[[(2S)-1-hydroxybutan-2-yl]amino]methyl]-2-methoxyphenoxy]acetamide
CID 94870303

Frequently Asked Questions

What is the IUPAC name of N-[[4-[2-(ethylamino)-2-oxoethoxy]-3-methoxyphenyl]methyl]-3-(2,3,4-trimethoxyphenyl)propanamide?
The IUPAC name of N-[[4-[2-(ethylamino)-2-oxoethoxy]-3-methoxyphenyl]methyl]-3-(2,3,4-trimethoxyphenyl)propanamide (CID 55881030) is N-[[4-[2-(ethylamino)-2-oxoethoxy]-3-methoxyphenyl]methyl]-3-(2,3,4-trimethoxyphenyl)propanamide.
What is the SMILES notation for N-[[4-[2-(ethylamino)-2-oxoethoxy]-3-methoxyphenyl]methyl]-3-(2,3,4-trimethoxyphenyl)propanamide?
The canonical SMILES for N-[[4-[2-(ethylamino)-2-oxoethoxy]-3-methoxyphenyl]methyl]-3-(2,3,4-trimethoxyphenyl)propanamide is CCNC(=O)COc1ccc(CNC(=O)CCc2ccc(OC)c(OC)c2OC)cc1OC.
What is the InChIKey of N-[[4-[2-(ethylamino)-2-oxoethoxy]-3-methoxyphenyl]methyl]-3-(2,3,4-trimethoxyphenyl)propanamide?
The InChIKey is UJQDTUGXGVQHLQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H32N2O7/c1-6-25-22(28)15-33-18-10-7-16(13-20(18)30-3)14-26-21(27)12-9-17-8-11-19(29-2)24(32-5)23(17)31-4/h7-8,10-11,13H,6,9,12,14-15H2,1-5H3,(H,25,28)(H,26,27).
What are the key properties of N-[[4-[2-(ethylamino)-2-oxoethoxy]-3-methoxyphenyl]methyl]-3-(2,3,4-trimethoxyphenyl)propanamide?
N-[[4-[2-(ethylamino)-2-oxoethoxy]-3-methoxyphenyl]methyl]-3-(2,3,4-trimethoxyphenyl)propanamide has a molecular weight of 460.53 g/mol, XLogP of 2.48, 13 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-[2-(ethylamino)-2-oxoethoxy]-3-methoxyphenyl]methyl]-3-(2,3,4-trimethoxyphenyl)propanamide is sourced from PubChem (CID 55881030), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).