2-[ethyl-[2-(4-methoxyanilino)-2-oxoethyl]amino]-N-(3-fluoro-4-methylphenyl)propanamide

C21H26FN3O3 — CID 18094701

IUPAC2-[ethyl-[2-(4-methoxyanilino)-2-oxoethyl]amino]-N-(3-fluoro-4-methylphenyl)propanamide
SMILESCCN(CC(=O)Nc1ccc(OC)cc1)C(C)C(=O)Nc1ccc(C)c(F)c1
InChIInChI=1S/C21H26FN3O3/c1-5-25(13-20(26)23-16-8-10-18(28-4)11-9-16)15(3)21(27)24-17-7-6-14(2)19(22)12-17/h6-12,15H,5,13H2,1-4H3,(H,23,26)(H,24,27)
InChIKeyKOJLCJPCIBEAKZ-UHFFFAOYSA-N
MW387.46 g/mol
LogP3.43
Rot. Bonds8

About 2-[ethyl-[2-(4-methoxyanilino)-2-oxoethyl]amino]-N-(3-fluoro-4-methylphenyl)propanamide

2-[ethyl-[2-(4-methoxyanilino)-2-oxoethyl]amino]-N-(3-fluoro-4-methylphenyl)propanamide (PubChem CID 18094701) has the molecular formula C21H26FN3O3 and a molecular weight of 387.46 g/mol. Its IUPAC name is 2-[ethyl-[2-(4-methoxyanilino)-2-oxoethyl]amino]-N-(3-fluoro-4-methylphenyl)propanamide.

Molecular Properties

Compound Name2-[ethyl-[2-(4-methoxyanilino)-2-oxoethyl]amino]-N-(3-fluoro-4-methylphenyl)propanamide
PubChem CID18094701
Molecular FormulaC21H26FN3O3
Molecular Weight387.46 g/mol
Exact Mass387.20
IUPAC Name2-[ethyl-[2-(4-methoxyanilino)-2-oxoethyl]amino]-N-(3-fluoro-4-methylphenyl)propanamide
SMILESCCN(CC(=O)Nc1ccc(OC)cc1)C(C)C(=O)Nc1ccc(C)c(F)c1
InChIInChI=1S/C21H26FN3O3/c1-5-25(13-20(26)23-16-8-10-18(28-4)11-9-16)15(3)21(27)24-17-7-6-14(2)19(22)12-17/h6-12,15H,5,13H2,1-4H3,(H,23,26)(H,24,27)
InChIKeyKOJLCJPCIBEAKZ-UHFFFAOYSA-N
XLogP3.43
TPSA70.67 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.46
LogP ≤ 53.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

(2R)-2-[ethyl-[2-(4-methoxyanilino)-2-oxoethyl]amino]-N-naphthalen-2-ylpropanamide
CID 9027057
(2S)-N-[4-(difluoromethoxy)phenyl]-2-[ethyl-[2-(4-methoxyanilino)-2-oxoethyl]amino]propanamide
CID 37425693
2-[ethyl-[2-(4-methoxyanilino)-2-oxoethyl]amino]-N-(4-ethylphenyl)propanamide
CID 18078718
N-(2-chloro-4-fluorophenyl)-2-[ethyl-[2-(4-methoxyanilino)-2-oxoethyl]amino]propanamide
CID 16555013
3-(N-[2-(3-fluoro-4-methylanilino)-2-oxoethyl]-4-methoxyanilino)propanamide
CID 18103265
N-(3-fluoro-4-methylphenyl)-2-[(4-methoxyphenyl)methyl-methylamino]acetamide
CID 27197824
2-[[2-(3,4-difluoroanilino)-2-oxoethyl]-ethylamino]-N-(4-methoxyphenyl)acetamide
CID 2657158
2-[ethyl-[2-(4-methoxyanilino)-2-oxoethyl]amino]-N-(thiophen-2-ylmethyl)propanamide
CID 18094706
2-[butan-2-yl-[2-(3-fluoro-4-methylanilino)-2-oxoethyl]amino]acetic acid
CID 60834710
3-[ethyl-[1-(4-methoxyanilino)-1-oxopropan-2-yl]amino]propanoic acid
CID 82326722
3-[[2-(3-fluoro-4-methylanilino)-2-oxoethyl]-propan-2-ylamino]propanoic acid
CID 60835214
N-(2,4-dichlorophenyl)-2-[ethyl-[2-(3-methoxyanilino)-2-oxoethyl]amino]propanamide
CID 112769404

Frequently Asked Questions

What is the IUPAC name of 2-[ethyl-[2-(4-methoxyanilino)-2-oxoethyl]amino]-N-(3-fluoro-4-methylphenyl)propanamide?
The IUPAC name of 2-[ethyl-[2-(4-methoxyanilino)-2-oxoethyl]amino]-N-(3-fluoro-4-methylphenyl)propanamide (CID 18094701) is 2-[ethyl-[2-(4-methoxyanilino)-2-oxoethyl]amino]-N-(3-fluoro-4-methylphenyl)propanamide.
What is the SMILES notation for 2-[ethyl-[2-(4-methoxyanilino)-2-oxoethyl]amino]-N-(3-fluoro-4-methylphenyl)propanamide?
The canonical SMILES for 2-[ethyl-[2-(4-methoxyanilino)-2-oxoethyl]amino]-N-(3-fluoro-4-methylphenyl)propanamide is CCN(CC(=O)Nc1ccc(OC)cc1)C(C)C(=O)Nc1ccc(C)c(F)c1.
What is the InChIKey of 2-[ethyl-[2-(4-methoxyanilino)-2-oxoethyl]amino]-N-(3-fluoro-4-methylphenyl)propanamide?
The InChIKey is KOJLCJPCIBEAKZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26FN3O3/c1-5-25(13-20(26)23-16-8-10-18(28-4)11-9-16)15(3)21(27)24-17-7-6-14(2)19(22)12-17/h6-12,15H,5,13H2,1-4H3,(H,23,26)(H,24,27).
What are the key properties of 2-[ethyl-[2-(4-methoxyanilino)-2-oxoethyl]amino]-N-(3-fluoro-4-methylphenyl)propanamide?
2-[ethyl-[2-(4-methoxyanilino)-2-oxoethyl]amino]-N-(3-fluoro-4-methylphenyl)propanamide has a molecular weight of 387.46 g/mol, XLogP of 3.43, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[ethyl-[2-(4-methoxyanilino)-2-oxoethyl]amino]-N-(3-fluoro-4-methylphenyl)propanamide is sourced from PubChem (CID 18094701), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).