[2-(4-acetamidoanilino)-2-oxoethyl]-ethyl-[2-[(4-methylcyclohexyl)amino]-2-oxoethyl]azanium

C21H33N4O3+ — CID 8779589

IUPAC[2-(4-acetamidoanilino)-2-oxoethyl]-ethyl-[2-[(4-methylcyclohexyl)amino]-2-oxoethyl]azanium
SMILESCC[NH+](CC(=O)Nc1ccc(NC(C)=O)cc1)CC(=O)NC1CCC(C)CC1
InChIInChI=1S/C21H32N4O3/c1-4-25(13-20(27)23-18-7-5-15(2)6-8-18)14-21(28)24-19-11-9-17(10-12-19)22-16(3)26/h9-12,15,18H,4-8,13-14H2,1-3H3,(H,22,26)(H,23,27)(H,24,28)/p+1
InChIKeySFGLAFRQEMKTQF-UHFFFAOYSA-O
MW389.52 g/mol
LogP1.18
Rot. Bonds8

About [2-(4-acetamidoanilino)-2-oxoethyl]-ethyl-[2-[(4-methylcyclohexyl)amino]-2-oxoethyl]azanium

[2-(4-acetamidoanilino)-2-oxoethyl]-ethyl-[2-[(4-methylcyclohexyl)amino]-2-oxoethyl]azanium (PubChem CID 8779589) has the molecular formula C21H33N4O3+ and a molecular weight of 389.52 g/mol. Its IUPAC name is [2-(4-acetamidoanilino)-2-oxoethyl]-ethyl-[2-[(4-methylcyclohexyl)amino]-2-oxoethyl]azanium.

Molecular Properties

Compound Name[2-(4-acetamidoanilino)-2-oxoethyl]-ethyl-[2-[(4-methylcyclohexyl)amino]-2-oxoethyl]azanium
PubChem CID8779589
Molecular FormulaC21H33N4O3+
Molecular Weight389.52 g/mol
Exact Mass389.25
IUPAC Name[2-(4-acetamidoanilino)-2-oxoethyl]-ethyl-[2-[(4-methylcyclohexyl)amino]-2-oxoethyl]azanium
SMILESCC[NH+](CC(=O)Nc1ccc(NC(C)=O)cc1)CC(=O)NC1CCC(C)CC1
InChIInChI=1S/C21H32N4O3/c1-4-25(13-20(27)23-18-7-5-15(2)6-8-18)14-21(28)24-19-11-9-17(10-12-19)22-16(3)26/h9-12,15,18H,4-8,13-14H2,1-3H3,(H,22,26)(H,23,27)(H,24,28)/p+1
InChIKeySFGLAFRQEMKTQF-UHFFFAOYSA-O
XLogP1.18
TPSA91.74 Ų
H-Bond Donors4
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.52
LogP ≤ 51.18
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 103

Analyze [2-(4-acetamidoanilino)-2-oxoethyl]-ethyl-[2-[(4-methylcyclohexyl)amino]-2-oxoethyl]azanium with MolForge

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Related Compounds

bis[2-(4-acetamidoanilino)-2-oxoethyl]-ethylazanium
CID 8780086
[2-(4-acetamidoanilino)-2-oxoethyl]-(2-amino-2-oxoethyl)-ethylazanium
CID 8779879
[2-(4-acetamidoanilino)-2-oxoethyl]-ethyl-[2-oxo-2-[[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]amino]ethyl]azanium
CID 8780128
[2-(4-acetamidoanilino)-2-oxoethyl]-[2-[(2R,6R)-2,6-dimethylmorpholin-4-yl]-2-oxoethyl]-ethylazanium
CID 8791276
[2-(4-acetamidoanilino)-2-oxoethyl]-ethyl-[2-oxo-2-[[(2R)-oxolan-2-yl]methylamino]ethyl]azanium
CID 8791256
N-(4-acetamidophenyl)-2-(cyclopropylcarbamoylamino)acetamide
CID 112999758
[2-(4-acetamidoanilino)-2-oxoethyl]-ethyl-methylazanium
CID 9254626
[2-(4-acetamidoanilino)-2-oxoethyl]-ethyl-[2-(naphthalen-1-ylamino)-2-oxoethyl]azanium
CID 2470771
N'-(4-ethylphenyl)-N-(4-methylcyclohexyl)oxamide
CID 124506867
[2-(3-methoxyanilino)-2-oxoethyl]-methyl-[2-[(4-methylcyclohexyl)amino]-2-oxoethyl]azanium
CID 8555404
[2-(4-acetamidoanilino)-2-oxoethyl]-[2-[(4-chlorophenyl)methylamino]-2-oxoethyl]-ethylazanium
CID 8779933
N-[4-[[(3-methylcyclopentyl)amino]methyl]phenyl]acetamide
CID 115651788

Frequently Asked Questions

What is the IUPAC name of [2-(4-acetamidoanilino)-2-oxoethyl]-ethyl-[2-[(4-methylcyclohexyl)amino]-2-oxoethyl]azanium?
The IUPAC name of [2-(4-acetamidoanilino)-2-oxoethyl]-ethyl-[2-[(4-methylcyclohexyl)amino]-2-oxoethyl]azanium (CID 8779589) is [2-(4-acetamidoanilino)-2-oxoethyl]-ethyl-[2-[(4-methylcyclohexyl)amino]-2-oxoethyl]azanium.
What is the SMILES notation for [2-(4-acetamidoanilino)-2-oxoethyl]-ethyl-[2-[(4-methylcyclohexyl)amino]-2-oxoethyl]azanium?
The canonical SMILES for [2-(4-acetamidoanilino)-2-oxoethyl]-ethyl-[2-[(4-methylcyclohexyl)amino]-2-oxoethyl]azanium is CC[NH+](CC(=O)Nc1ccc(NC(C)=O)cc1)CC(=O)NC1CCC(C)CC1.
What is the InChIKey of [2-(4-acetamidoanilino)-2-oxoethyl]-ethyl-[2-[(4-methylcyclohexyl)amino]-2-oxoethyl]azanium?
The InChIKey is SFGLAFRQEMKTQF-UHFFFAOYSA-O. The full InChI is InChI=1S/C21H32N4O3/c1-4-25(13-20(27)23-18-7-5-15(2)6-8-18)14-21(28)24-19-11-9-17(10-12-19)22-16(3)26/h9-12,15,18H,4-8,13-14H2,1-3H3,(H,22,26)(H,23,27)(H,24,28)/p+1.
What are the key properties of [2-(4-acetamidoanilino)-2-oxoethyl]-ethyl-[2-[(4-methylcyclohexyl)amino]-2-oxoethyl]azanium?
[2-(4-acetamidoanilino)-2-oxoethyl]-ethyl-[2-[(4-methylcyclohexyl)amino]-2-oxoethyl]azanium has a molecular weight of 389.52 g/mol, XLogP of 1.18, 8 rotatable bonds, 4 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(4-acetamidoanilino)-2-oxoethyl]-ethyl-[2-[(4-methylcyclohexyl)amino]-2-oxoethyl]azanium is sourced from PubChem (CID 8779589), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).