[2-(4-acetamidoanilino)-2-oxoethyl]-ethyl-[2-oxo-2-[[(2R)-oxolan-2-yl]methylamino]ethyl]azanium

C19H29N4O4+ — CID 8791256

IUPAC[2-(4-acetamidoanilino)-2-oxoethyl]-ethyl-[2-oxo-2-[[(2R)-oxolan-2-yl]methylamino]ethyl]azanium
SMILESCC[NH+](CC(=O)NC[C@H]1CCCO1)CC(=O)Nc1ccc(NC(C)=O)cc1
InChIInChI=1S/C19H28N4O4/c1-3-23(12-18(25)20-11-17-5-4-10-27-17)13-19(26)22-16-8-6-15(7-9-16)21-14(2)24/h6-9,17H,3-5,10-13H2,1-2H3,(H,20,25)(H,21,24)(H,22,26)/p+1/t17-/m1/s1
InChIKeyRIAZYABQZNYBOY-QGZVFWFLSA-O
MW377.47 g/mol
LogP-0.22
Rot. Bonds9

About [2-(4-acetamidoanilino)-2-oxoethyl]-ethyl-[2-oxo-2-[[(2R)-oxolan-2-yl]methylamino]ethyl]azanium

[2-(4-acetamidoanilino)-2-oxoethyl]-ethyl-[2-oxo-2-[[(2R)-oxolan-2-yl]methylamino]ethyl]azanium (PubChem CID 8791256) has the molecular formula C19H29N4O4+ and a molecular weight of 377.47 g/mol. Its IUPAC name is [2-(4-acetamidoanilino)-2-oxoethyl]-ethyl-[2-oxo-2-[[(2R)-oxolan-2-yl]methylamino]ethyl]azanium.

Molecular Properties

Compound Name[2-(4-acetamidoanilino)-2-oxoethyl]-ethyl-[2-oxo-2-[[(2R)-oxolan-2-yl]methylamino]ethyl]azanium
PubChem CID8791256
Molecular FormulaC19H29N4O4+
Molecular Weight377.47 g/mol
Exact Mass377.22
IUPAC Name[2-(4-acetamidoanilino)-2-oxoethyl]-ethyl-[2-oxo-2-[[(2R)-oxolan-2-yl]methylamino]ethyl]azanium
SMILESCC[NH+](CC(=O)NC[C@H]1CCCO1)CC(=O)Nc1ccc(NC(C)=O)cc1
InChIInChI=1S/C19H28N4O4/c1-3-23(12-18(25)20-11-17-5-4-10-27-17)13-19(26)22-16-8-6-15(7-9-16)21-14(2)24/h6-9,17H,3-5,10-13H2,1-2H3,(H,20,25)(H,21,24)(H,22,26)/p+1/t17-/m1/s1
InChIKeyRIAZYABQZNYBOY-QGZVFWFLSA-O
XLogP-0.22
TPSA100.97 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.47
LogP ≤ 5-0.22
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Analyze [2-(4-acetamidoanilino)-2-oxoethyl]-ethyl-[2-oxo-2-[[(2R)-oxolan-2-yl]methylamino]ethyl]azanium with MolForge

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Related Compounds

N'-(4-acetamidophenyl)-N-[[(2S)-oxolan-2-yl]methyl]oxamide
CID 7379139
N-(4-acetamidophenyl)-2-(oxolan-2-ylmethylamino)acetamide
CID 54815392
N'-(4-methylphenyl)-N-(oxolan-2-ylmethyl)propanediamide
CID 108943682
4-(butanoylamino)-N-[[(2S)-oxolan-2-yl]methyl]benzamide
CID 1292661
3-N-(4-acetamidophenyl)-1-N-(oxolan-2-ylmethyl)benzene-1,3-dicarboxamide
CID 109053089
N-[(4-acetamidophenyl)methyl]-2-(oxolan-2-ylmethylamino)acetamide
CID 50977763
N-[4-(oxolan-2-ylmethylamino)phenyl]butanamide
CID 112981160
4-acetamido-N-methyl-N-(oxolan-2-ylmethyl)benzamide
CID 110745427
2-(methylamino)-N-[4-(oxolan-2-ylmethylcarbamoylamino)phenyl]acetamide;hydrochloride
CID 119701961
(3S)-3-methyl-N-[[(2S)-oxolan-2-yl]methyl]-N'-(4-propan-2-ylphenyl)pentanediamide
CID 7318082
[2-(4-acetamidoanilino)-2-oxoethyl]-ethyl-[2-[(4-methylcyclohexyl)amino]-2-oxoethyl]azanium
CID 8779589
N'-(3-chloro-4-methylphenyl)-N-(oxolan-2-ylmethyl)propanediamide
CID 108943710

Frequently Asked Questions

What is the IUPAC name of [2-(4-acetamidoanilino)-2-oxoethyl]-ethyl-[2-oxo-2-[[(2R)-oxolan-2-yl]methylamino]ethyl]azanium?
The IUPAC name of [2-(4-acetamidoanilino)-2-oxoethyl]-ethyl-[2-oxo-2-[[(2R)-oxolan-2-yl]methylamino]ethyl]azanium (CID 8791256) is [2-(4-acetamidoanilino)-2-oxoethyl]-ethyl-[2-oxo-2-[[(2R)-oxolan-2-yl]methylamino]ethyl]azanium.
What is the SMILES notation for [2-(4-acetamidoanilino)-2-oxoethyl]-ethyl-[2-oxo-2-[[(2R)-oxolan-2-yl]methylamino]ethyl]azanium?
The canonical SMILES for [2-(4-acetamidoanilino)-2-oxoethyl]-ethyl-[2-oxo-2-[[(2R)-oxolan-2-yl]methylamino]ethyl]azanium is CC[NH+](CC(=O)NC[C@H]1CCCO1)CC(=O)Nc1ccc(NC(C)=O)cc1.
What is the InChIKey of [2-(4-acetamidoanilino)-2-oxoethyl]-ethyl-[2-oxo-2-[[(2R)-oxolan-2-yl]methylamino]ethyl]azanium?
The InChIKey is RIAZYABQZNYBOY-QGZVFWFLSA-O. The full InChI is InChI=1S/C19H28N4O4/c1-3-23(12-18(25)20-11-17-5-4-10-27-17)13-19(26)22-16-8-6-15(7-9-16)21-14(2)24/h6-9,17H,3-5,10-13H2,1-2H3,(H,20,25)(H,21,24)(H,22,26)/p+1/t17-/m1/s1.
What are the key properties of [2-(4-acetamidoanilino)-2-oxoethyl]-ethyl-[2-oxo-2-[[(2R)-oxolan-2-yl]methylamino]ethyl]azanium?
[2-(4-acetamidoanilino)-2-oxoethyl]-ethyl-[2-oxo-2-[[(2R)-oxolan-2-yl]methylamino]ethyl]azanium has a molecular weight of 377.47 g/mol, XLogP of -0.22, 9 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(4-acetamidoanilino)-2-oxoethyl]-ethyl-[2-oxo-2-[[(2R)-oxolan-2-yl]methylamino]ethyl]azanium is sourced from PubChem (CID 8791256), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).