2-[ethyl-[2-(4-methoxyanilino)-2-oxoethyl]amino]-N-(4-ethylphenyl)propanamide

C22H29N3O3 — CID 18078718

IUPAC2-[ethyl-[2-(4-methoxyanilino)-2-oxoethyl]amino]-N-(4-ethylphenyl)propanamide
SMILESCCc1ccc(NC(=O)C(C)N(CC)CC(=O)Nc2ccc(OC)cc2)cc1
InChIInChI=1S/C22H29N3O3/c1-5-17-7-9-19(10-8-17)24-22(27)16(3)25(6-2)15-21(26)23-18-11-13-20(28-4)14-12-18/h7-14,16H,5-6,15H2,1-4H3,(H,23,26)(H,24,27)
InChIKeyLIFXPLHHUGTABD-UHFFFAOYSA-N
MW383.49 g/mol
LogP3.55
Rot. Bonds9

About 2-[ethyl-[2-(4-methoxyanilino)-2-oxoethyl]amino]-N-(4-ethylphenyl)propanamide

2-[ethyl-[2-(4-methoxyanilino)-2-oxoethyl]amino]-N-(4-ethylphenyl)propanamide (PubChem CID 18078718) has the molecular formula C22H29N3O3 and a molecular weight of 383.49 g/mol. Its IUPAC name is 2-[ethyl-[2-(4-methoxyanilino)-2-oxoethyl]amino]-N-(4-ethylphenyl)propanamide.

Molecular Properties

Compound Name2-[ethyl-[2-(4-methoxyanilino)-2-oxoethyl]amino]-N-(4-ethylphenyl)propanamide
PubChem CID18078718
Molecular FormulaC22H29N3O3
Molecular Weight383.49 g/mol
Exact Mass383.22
IUPAC Name2-[ethyl-[2-(4-methoxyanilino)-2-oxoethyl]amino]-N-(4-ethylphenyl)propanamide
SMILESCCc1ccc(NC(=O)C(C)N(CC)CC(=O)Nc2ccc(OC)cc2)cc1
InChIInChI=1S/C22H29N3O3/c1-5-17-7-9-19(10-8-17)24-22(27)16(3)25(6-2)15-21(26)23-18-11-13-20(28-4)14-12-18/h7-14,16H,5-6,15H2,1-4H3,(H,23,26)(H,24,27)
InChIKeyLIFXPLHHUGTABD-UHFFFAOYSA-N
XLogP3.55
TPSA70.67 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.49
LogP ≤ 53.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

(2S)-N-[4-(difluoromethoxy)phenyl]-2-[ethyl-[2-(4-methoxyanilino)-2-oxoethyl]amino]propanamide
CID 37425693
(2R)-2-[ethyl-[2-(4-methoxyanilino)-2-oxoethyl]amino]-N-naphthalen-2-ylpropanamide
CID 9027057
2-[ethyl-[2-(4-methoxyanilino)-2-oxoethyl]amino]-N-(3-fluoro-4-methylphenyl)propanamide
CID 18094701
N-(2-chloro-4-fluorophenyl)-2-[ethyl-[2-(4-methoxyanilino)-2-oxoethyl]amino]propanamide
CID 16555013
2-[ethyl-[2-(4-methoxyanilino)-2-oxoethyl]amino]-N-(thiophen-2-ylmethyl)propanamide
CID 18094706
3-[ethyl-[1-(4-methoxyanilino)-1-oxopropan-2-yl]amino]propanoic acid
CID 82326722
2-[ethyl-[2-[(4-fluorophenyl)methylamino]-2-oxoethyl]amino]-N-(4-ethylphenyl)propanamide
CID 112769362
(2S)-N-(4-ethylphenyl)-2-(4-methoxy-N-methylsulfonylanilino)propanamide
CID 1315154
(2R)-N-(4-ethylphenyl)-2-(4-methoxy-N-methylsulfonylanilino)propanamide
CID 1315152
2-[(2-anilino-2-oxoethyl)-methylamino]-N-(4-methoxyphenyl)propanamide
CID 86979725
2-[acetyl-[(4-methoxyphenyl)methyl]amino]-N-(4-ethylphenyl)acetamide
CID 113163115
N-[4-(aminomethyl)phenyl]-2-[ethyl-[2-(methylamino)-2-oxoethyl]amino]propanamide
CID 43575674

Frequently Asked Questions

What is the IUPAC name of 2-[ethyl-[2-(4-methoxyanilino)-2-oxoethyl]amino]-N-(4-ethylphenyl)propanamide?
The IUPAC name of 2-[ethyl-[2-(4-methoxyanilino)-2-oxoethyl]amino]-N-(4-ethylphenyl)propanamide (CID 18078718) is 2-[ethyl-[2-(4-methoxyanilino)-2-oxoethyl]amino]-N-(4-ethylphenyl)propanamide.
What is the SMILES notation for 2-[ethyl-[2-(4-methoxyanilino)-2-oxoethyl]amino]-N-(4-ethylphenyl)propanamide?
The canonical SMILES for 2-[ethyl-[2-(4-methoxyanilino)-2-oxoethyl]amino]-N-(4-ethylphenyl)propanamide is CCc1ccc(NC(=O)C(C)N(CC)CC(=O)Nc2ccc(OC)cc2)cc1.
What is the InChIKey of 2-[ethyl-[2-(4-methoxyanilino)-2-oxoethyl]amino]-N-(4-ethylphenyl)propanamide?
The InChIKey is LIFXPLHHUGTABD-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H29N3O3/c1-5-17-7-9-19(10-8-17)24-22(27)16(3)25(6-2)15-21(26)23-18-11-13-20(28-4)14-12-18/h7-14,16H,5-6,15H2,1-4H3,(H,23,26)(H,24,27).
What are the key properties of 2-[ethyl-[2-(4-methoxyanilino)-2-oxoethyl]amino]-N-(4-ethylphenyl)propanamide?
2-[ethyl-[2-(4-methoxyanilino)-2-oxoethyl]amino]-N-(4-ethylphenyl)propanamide has a molecular weight of 383.49 g/mol, XLogP of 3.55, 9 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-(4-ethylphenyl)propanamide is sourced from PubChem (CID 18078718), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).