2-[ethyl-[2-(3-methylanilino)-2-oxoethyl]amino]-N-(4-methoxyphenyl)acetamide

C20H25N3O3 — CID 2657150

IUPAC2-[ethyl-[2-(3-methylanilino)-2-oxoethyl]amino]-N-(4-methoxyphenyl)acetamide
SMILESCCN(CC(=O)Nc1ccc(OC)cc1)CC(=O)Nc1cccc(C)c1
InChIInChI=1S/C20H25N3O3/c1-4-23(14-20(25)22-17-7-5-6-15(2)12-17)13-19(24)21-16-8-10-18(26-3)11-9-16/h5-12H,4,13-14H2,1-3H3,(H,21,24)(H,22,25)
InChIKeyDOCALDNEGGAFEV-UHFFFAOYSA-N
MW355.44 g/mol
LogP2.90
Rot. Bonds8

About 2-[ethyl-[2-(3-methylanilino)-2-oxoethyl]amino]-N-(4-methoxyphenyl)acetamide

2-[ethyl-[2-(3-methylanilino)-2-oxoethyl]amino]-N-(4-methoxyphenyl)acetamide (PubChem CID 2657150) has the molecular formula C20H25N3O3 and a molecular weight of 355.44 g/mol. Its IUPAC name is 2-[ethyl-[2-(3-methylanilino)-2-oxoethyl]amino]-N-(4-methoxyphenyl)acetamide.

Molecular Properties

Compound Name2-[ethyl-[2-(3-methylanilino)-2-oxoethyl]amino]-N-(4-methoxyphenyl)acetamide
PubChem CID2657150
Molecular FormulaC20H25N3O3
Molecular Weight355.44 g/mol
Exact Mass355.19
IUPAC Name2-[ethyl-[2-(3-methylanilino)-2-oxoethyl]amino]-N-(4-methoxyphenyl)acetamide
SMILESCCN(CC(=O)Nc1ccc(OC)cc1)CC(=O)Nc1cccc(C)c1
InChIInChI=1S/C20H25N3O3/c1-4-23(14-20(25)22-17-7-5-6-15(2)12-17)13-19(24)21-16-8-10-18(26-3)11-9-16/h5-12H,4,13-14H2,1-3H3,(H,21,24)(H,22,25)
InChIKeyDOCALDNEGGAFEV-UHFFFAOYSA-N
XLogP2.90
TPSA70.67 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.44
LogP ≤ 52.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-[[2-(3-bromoanilino)-2-oxoethyl]-ethylamino]-N-(4-methoxyphenyl)acetamide
CID 2491478
2-[[2-(3,4-difluoroanilino)-2-oxoethyl]-ethylamino]-N-(4-methoxyphenyl)acetamide
CID 2657158
2-[[2-(3,4-dichloroanilino)-2-oxoethyl]-ethylamino]-N-(4-methoxyphenyl)acetamide
CID 9027460
2-[[2-(3-bromoanilino)-2-oxoethyl]-ethylamino]-N-(3-methoxyphenyl)acetamide
CID 9026006
methyl 2-[ethyl-[2-(3-methoxyanilino)-2-oxoethyl]amino]acetate
CID 60674332
ethyl 2-[ethyl-[2-(3-methoxyanilino)-2-oxoethyl]amino]acetate
CID 60674331
4-[[2-[ethyl-[2-(3-methoxyanilino)-2-oxoethyl]amino]acetyl]amino]-N,N-dimethylbenzamide
CID 9025684
3-[ethyl-[2-(3-methylanilino)-2-oxoethyl]amino]propanoic acid
CID 61009921
2-[ethyl-[2-(2-ethylanilino)-2-oxoethyl]amino]-N-(4-methoxyphenyl)acetamide
CID 9027158
2-[ethyl-[2-(5-fluoro-2-methylanilino)-2-oxoethyl]amino]-N-(4-methoxyphenyl)acetamide
CID 18085874
2-(N-ethyl-2,4-dimethylanilino)-N-(4-methoxyphenyl)acetamide
CID 60524860
2-(dipropylamino)-N-(4-methoxyphenyl)acetamide
CID 54817180

Frequently Asked Questions

What is the IUPAC name of 2-[ethyl-[2-(3-methylanilino)-2-oxoethyl]amino]-N-(4-methoxyphenyl)acetamide?
The IUPAC name of 2-[ethyl-[2-(3-methylanilino)-2-oxoethyl]amino]-N-(4-methoxyphenyl)acetamide (CID 2657150) is 2-[ethyl-[2-(3-methylanilino)-2-oxoethyl]amino]-N-(4-methoxyphenyl)acetamide.
What is the SMILES notation for 2-[ethyl-[2-(3-methylanilino)-2-oxoethyl]amino]-N-(4-methoxyphenyl)acetamide?
The canonical SMILES for 2-[ethyl-[2-(3-methylanilino)-2-oxoethyl]amino]-N-(4-methoxyphenyl)acetamide is CCN(CC(=O)Nc1ccc(OC)cc1)CC(=O)Nc1cccc(C)c1.
What is the InChIKey of 2-[ethyl-[2-(3-methylanilino)-2-oxoethyl]amino]-N-(4-methoxyphenyl)acetamide?
The InChIKey is DOCALDNEGGAFEV-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25N3O3/c1-4-23(14-20(25)22-17-7-5-6-15(2)12-17)13-19(24)21-16-8-10-18(26-3)11-9-16/h5-12H,4,13-14H2,1-3H3,(H,21,24)(H,22,25).
What are the key properties of 2-[ethyl-[2-(3-methylanilino)-2-oxoethyl]amino]-N-(4-methoxyphenyl)acetamide?
2-[ethyl-[2-(3-methylanilino)-2-oxoethyl]amino]-N-(4-methoxyphenyl)acetamide has a molecular weight of 355.44 g/mol, XLogP of 2.90, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[ethyl-[2-(3-methylanilino)-2-oxoethyl]amino]-N-(4-methoxyphenyl)acetamide is sourced from PubChem (CID 2657150), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).