2-[[2-[2-(3,4-dimethoxyphenyl)ethylamino]-2-oxoethyl]amino]-4-methoxybenzamide

C20H25N3O5 — CID 10385537

IUPAC2-[[2-[2-(3,4-dimethoxyphenyl)ethylamino]-2-oxoethyl]amino]-4-methoxybenzamide
SMILESCOc1ccc(C(N)=O)c(NCC(=O)NCCc2ccc(OC)c(OC)c2)c1
InChIInChI=1S/C20H25N3O5/c1-26-14-5-6-15(20(21)25)16(11-14)23-12-19(24)22-9-8-13-4-7-17(27-2)18(10-13)28-3/h4-7,10-11,23H,8-9,12H2,1-3H3,(H2,21,25)(H,22,24)
InChIKeyJAYOZMOKCCESED-UHFFFAOYSA-N
MW387.44 g/mol
LogP1.58
Rot. Bonds10

About 2-[[2-[2-(3,4-dimethoxyphenyl)ethylamino]-2-oxoethyl]amino]-4-methoxybenzamide

2-[[2-[2-(3,4-dimethoxyphenyl)ethylamino]-2-oxoethyl]amino]-4-methoxybenzamide (PubChem CID 10385537) has the molecular formula C20H25N3O5 and a molecular weight of 387.44 g/mol. Its IUPAC name is 2-[[2-[2-(3,4-dimethoxyphenyl)ethylamino]-2-oxoethyl]amino]-4-methoxybenzamide.

Molecular Properties

Compound Name2-[[2-[2-(3,4-dimethoxyphenyl)ethylamino]-2-oxoethyl]amino]-4-methoxybenzamide
PubChem CID10385537
Molecular FormulaC20H25N3O5
Molecular Weight387.44 g/mol
Exact Mass387.18
IUPAC Name2-[[2-[2-(3,4-dimethoxyphenyl)ethylamino]-2-oxoethyl]amino]-4-methoxybenzamide
SMILESCOc1ccc(C(N)=O)c(NCC(=O)NCCc2ccc(OC)c(OC)c2)c1
InChIInChI=1S/C20H25N3O5/c1-26-14-5-6-15(20(21)25)16(11-14)23-12-19(24)22-9-8-13-4-7-17(27-2)18(10-13)28-3/h4-7,10-11,23H,8-9,12H2,1-3H3,(H2,21,25)(H,22,24)
InChIKeyJAYOZMOKCCESED-UHFFFAOYSA-N
XLogP1.58
TPSA111.91 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds10
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.44
LogP ≤ 51.58
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Related Compounds

3-amino-N-[2-(3,4-dimethoxyphenyl)ethyl]-3-sulfanylidenepropanamide
CID 28942362
2-amino-N-[2-[2-(3,4-dimethoxyphenyl)ethylamino]-2-oxoethyl]acetamide
CID 60848971
2-chloro-N-[2-(3,4-dimethoxyphenyl)ethyl]-4-methoxybenzamide
CID 110763510
2-(4-bromoanilino)-N-[2-(3,4-dimethoxyphenyl)ethyl]acetamide
CID 40684742
[2-[2-(3,4-dimethoxyphenyl)ethylamino]-2-oxoethyl] 2-(4-methoxyphenyl)acetate
CID 2556389
1-[2-(3,4-dimethoxyphenyl)ethyl]-3-[2-(4-methoxyphenyl)ethyl]urea
CID 51290944
N-[2-(3,4-dimethoxyphenyl)ethyl]-2-(4-propan-2-ylanilino)acetamide
CID 78793009
N'-(2-carbamoylphenyl)-N-[2-(3,4-dimethoxyphenyl)ethyl]oxamide
CID 108506282
N-[2-(3,4-dimethoxyphenyl)ethyl]-2-[(2,5-dimethoxyphenyl)sulfonyl-methylamino]acetamide
CID 45375557
N'-(2,4-dimethoxyphenyl)-N-[2-(3,4-dimethoxyphenyl)ethyl]oxamide
CID 2274190
2-[2-[2-(4-fluorophenyl)ethylamino]-2-oxoethoxy]-4-methoxybenzamide
CID 18085820
2-(3,4-dimethoxyphenyl)ethanamine;N-[2-(3,4-dimethoxyphenyl)ethyl]-2-(4-methoxyphenyl)acetamide;2-(4-methoxyphenyl)acetic acid
CID 161238397

Frequently Asked Questions

What is the IUPAC name of 2-[[2-[2-(3,4-dimethoxyphenyl)ethylamino]-2-oxoethyl]amino]-4-methoxybenzamide?
The IUPAC name of 2-[[2-[2-(3,4-dimethoxyphenyl)ethylamino]-2-oxoethyl]amino]-4-methoxybenzamide (CID 10385537) is 2-[[2-[2-(3,4-dimethoxyphenyl)ethylamino]-2-oxoethyl]amino]-4-methoxybenzamide.
What is the SMILES notation for 2-[[2-[2-(3,4-dimethoxyphenyl)ethylamino]-2-oxoethyl]amino]-4-methoxybenzamide?
The canonical SMILES for 2-[[2-[2-(3,4-dimethoxyphenyl)ethylamino]-2-oxoethyl]amino]-4-methoxybenzamide is COc1ccc(C(N)=O)c(NCC(=O)NCCc2ccc(OC)c(OC)c2)c1.
What is the InChIKey of 2-[[2-[2-(3,4-dimethoxyphenyl)ethylamino]-2-oxoethyl]amino]-4-methoxybenzamide?
The InChIKey is JAYOZMOKCCESED-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25N3O5/c1-26-14-5-6-15(20(21)25)16(11-14)23-12-19(24)22-9-8-13-4-7-17(27-2)18(10-13)28-3/h4-7,10-11,23H,8-9,12H2,1-3H3,(H2,21,25)(H,22,24).
What are the key properties of 2-[[2-[2-(3,4-dimethoxyphenyl)ethylamino]-2-oxoethyl]amino]-4-methoxybenzamide?
2-[[2-[2-(3,4-dimethoxyphenyl)ethylamino]-2-oxoethyl]amino]-4-methoxybenzamide has a molecular weight of 387.44 g/mol, XLogP of 1.58, 10 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-[2-(3,4-dimethoxyphenyl)ethylamino]-2-oxoethyl]amino]-4-methoxybenzamide is sourced from PubChem (CID 10385537), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).