[3-[[4-(4-anilinoanilino)-4-oxobutanoyl]amino]oxolan-2-yl] acetate

C22H25N3O5 — CID 22711569

IUPAC[3-[[4-(4-anilinoanilino)-4-oxobutanoyl]amino]oxolan-2-yl] acetate
SMILESCC(=O)OC1OCCC1NC(=O)CCC(=O)Nc1ccc(Nc2ccccc2)cc1
InChIInChI=1S/C22H25N3O5/c1-15(26)30-22-19(13-14-29-22)25-21(28)12-11-20(27)24-18-9-7-17(8-10-18)23-16-5-3-2-4-6-16/h2-10,19,22-23H,11-14H2,1H3,(H,24,27)(H,25,28)
InChIKeyINVJFBNWEMWCRR-UHFFFAOYSA-N
MW411.46 g/mol
LogP2.94
Rot. Bonds8

About [3-[[4-(4-anilinoanilino)-4-oxobutanoyl]amino]oxolan-2-yl] acetate

[3-[[4-(4-anilinoanilino)-4-oxobutanoyl]amino]oxolan-2-yl] acetate (PubChem CID 22711569) has the molecular formula C22H25N3O5 and a molecular weight of 411.46 g/mol. Its IUPAC name is [3-[[4-(4-anilinoanilino)-4-oxobutanoyl]amino]oxolan-2-yl] acetate.

Molecular Properties

Compound Name[3-[[4-(4-anilinoanilino)-4-oxobutanoyl]amino]oxolan-2-yl] acetate
PubChem CID22711569
Molecular FormulaC22H25N3O5
Molecular Weight411.46 g/mol
Exact Mass411.18
IUPAC Name[3-[[4-(4-anilinoanilino)-4-oxobutanoyl]amino]oxolan-2-yl] acetate
SMILESCC(=O)OC1OCCC1NC(=O)CCC(=O)Nc1ccc(Nc2ccccc2)cc1
InChIInChI=1S/C22H25N3O5/c1-15(26)30-22-19(13-14-29-22)25-21(28)12-11-20(27)24-18-9-7-17(8-10-18)23-16-5-3-2-4-6-16/h2-10,19,22-23H,11-14H2,1H3,(H,24,27)(H,25,28)
InChIKeyINVJFBNWEMWCRR-UHFFFAOYSA-N
XLogP2.94
TPSA105.76 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500411.46
LogP ≤ 52.94
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Analyze [3-[[4-(4-anilinoanilino)-4-oxobutanoyl]amino]oxolan-2-yl] acetate with MolForge

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Related Compounds

methyl 4-(4-anilinoanilino)-4-oxobutanoate
CID 730573
N-cyclopropyl-N'-phenylbutanediamide
CID 70314355
4-(4-anilinoanilino)-4-oxobutanoic acid
CID 3582838
N-[(1S,2R,3S)-2,3-dimethylcyclohexyl]-N'-(4-phenoxyphenyl)butanediamide
CID 11896713
N-[(1R,2R,3S)-2,3-dimethylcyclohexyl]-N'-(4-phenoxyphenyl)butanediamide
CID 11896715
[(3R)-3-phenylmethoxyoxolan-2-yl] acetate
CID 134857022
[(2S,3S)-3-[[(2R)-2-(benzenesulfonamido)-4-methylpentyl]amino]oxolan-2-yl] acetate
CID 67575452
4-[(3-acetyloxy-1,4-dioxan-2-yl)carbamothioylamino]benzoic acid
CID 3482863
4-morpholin-4-yl-4-oxo-N-phenylbutanamide
CID 9341047
N-(4-anilinophenyl)oxolane-2-carboxamide
CID 4690010
N-(4-anilinophenyl)-3-(2-methoxyphenoxy)propanamide
CID 60520385
tert-butyl N-[3-(4-anilinoanilino)-3-oxopropyl]carbamate
CID 29265817

Frequently Asked Questions

What is the IUPAC name of [3-[[4-(4-anilinoanilino)-4-oxobutanoyl]amino]oxolan-2-yl] acetate?
The IUPAC name of [3-[[4-(4-anilinoanilino)-4-oxobutanoyl]amino]oxolan-2-yl] acetate (CID 22711569) is [3-[[4-(4-anilinoanilino)-4-oxobutanoyl]amino]oxolan-2-yl] acetate.
What is the SMILES notation for [3-[[4-(4-anilinoanilino)-4-oxobutanoyl]amino]oxolan-2-yl] acetate?
The canonical SMILES for [3-[[4-(4-anilinoanilino)-4-oxobutanoyl]amino]oxolan-2-yl] acetate is CC(=O)OC1OCCC1NC(=O)CCC(=O)Nc1ccc(Nc2ccccc2)cc1.
What is the InChIKey of [3-[[4-(4-anilinoanilino)-4-oxobutanoyl]amino]oxolan-2-yl] acetate?
The InChIKey is INVJFBNWEMWCRR-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25N3O5/c1-15(26)30-22-19(13-14-29-22)25-21(28)12-11-20(27)24-18-9-7-17(8-10-18)23-16-5-3-2-4-6-16/h2-10,19,22-23H,11-14H2,1H3,(H,24,27)(H,25,28).
What are the key properties of [3-[[4-(4-anilinoanilino)-4-oxobutanoyl]amino]oxolan-2-yl] acetate?
[3-[[4-(4-anilinoanilino)-4-oxobutanoyl]amino]oxolan-2-yl] acetate has a molecular weight of 411.46 g/mol, XLogP of 2.94, 8 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [3-[[4-(4-anilinoanilino)-4-oxobutanoyl]amino]oxolan-2-yl] acetate is sourced from PubChem (CID 22711569), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).