N-(4-acetamidophenyl)-2-(oxolan-2-ylmethylamino)acetamide

C15H21N3O3 — CID 54815392

IUPACN-(4-acetamidophenyl)-2-(oxolan-2-ylmethylamino)acetamide
SMILESCC(=O)Nc1ccc(NC(=O)CNCC2CCCO2)cc1
InChIInChI=1S/C15H21N3O3/c1-11(19)17-12-4-6-13(7-5-12)18-15(20)10-16-9-14-3-2-8-21-14/h4-7,14,16H,2-3,8-10H2,1H3,(H,17,19)(H,18,20)
InChIKeyXABMGPAMYIEYRX-UHFFFAOYSA-N
MW291.35 g/mol
LogP1.35
Rot. Bonds6

About N-(4-acetamidophenyl)-2-(oxolan-2-ylmethylamino)acetamide

N-(4-acetamidophenyl)-2-(oxolan-2-ylmethylamino)acetamide (PubChem CID 54815392) has the molecular formula C15H21N3O3 and a molecular weight of 291.35 g/mol. Its IUPAC name is N-(4-acetamidophenyl)-2-(oxolan-2-ylmethylamino)acetamide.

Molecular Properties

Compound NameN-(4-acetamidophenyl)-2-(oxolan-2-ylmethylamino)acetamide
PubChem CID54815392
Molecular FormulaC15H21N3O3
Molecular Weight291.35 g/mol
Exact Mass291.16
IUPAC NameN-(4-acetamidophenyl)-2-(oxolan-2-ylmethylamino)acetamide
SMILESCC(=O)Nc1ccc(NC(=O)CNCC2CCCO2)cc1
InChIInChI=1S/C15H21N3O3/c1-11(19)17-12-4-6-13(7-5-12)18-15(20)10-16-9-14-3-2-8-21-14/h4-7,14,16H,2-3,8-10H2,1H3,(H,17,19)(H,18,20)
InChIKeyXABMGPAMYIEYRX-UHFFFAOYSA-N
XLogP1.35
TPSA79.46 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.35
LogP ≤ 51.35
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

N-(4-methylphenyl)-2-(oxan-2-ylmethylamino)acetamide
CID 55014055
N-[(4-acetamidophenyl)methyl]-2-(oxolan-2-ylmethylamino)acetamide
CID 50977763
N-methyl-4-[[2-(oxolan-2-ylmethylamino)acetyl]amino]benzamide
CID 54815292
N-(4-iodophenyl)-2-(oxolan-2-ylmethylamino)acetamide;hydrochloride
CID 119672668
N-(4-methylsulfanylphenyl)-2-(oxolan-2-ylmethylamino)acetamide;hydrochloride
CID 119694259
N-(3,4-dichlorophenyl)-2-(oxolan-2-ylmethylamino)acetamide;hydrochloride
CID 119670892
N-[4-(4-methylpiperidin-1-yl)phenyl]-2-(oxolan-2-ylmethylamino)acetamide
CID 108994306
2-(oxolan-2-ylmethylamino)-N-[4-(trifluoromethoxy)phenyl]acetamide
CID 119672849
N-methyl-N-[2-(4-methylanilino)-2-oxoethyl]-2-(oxolan-2-ylmethylamino)acetamide
CID 119677925
dimethyl 5-[[2-(oxolan-2-ylmethylamino)acetyl]amino]benzene-1,3-dicarboxylate
CID 119673692
N'-(4-acetamidophenyl)-N-[[(2S)-oxolan-2-yl]methyl]oxamide
CID 7379139
N-[3-[[2-(oxolan-2-ylmethylamino)acetyl]amino]phenyl]butanamide
CID 54815821

Frequently Asked Questions

What is the IUPAC name of N-(4-acetamidophenyl)-2-(oxolan-2-ylmethylamino)acetamide?
The IUPAC name of N-(4-acetamidophenyl)-2-(oxolan-2-ylmethylamino)acetamide (CID 54815392) is N-(4-acetamidophenyl)-2-(oxolan-2-ylmethylamino)acetamide.
What is the SMILES notation for N-(4-acetamidophenyl)-2-(oxolan-2-ylmethylamino)acetamide?
The canonical SMILES for N-(4-acetamidophenyl)-2-(oxolan-2-ylmethylamino)acetamide is CC(=O)Nc1ccc(NC(=O)CNCC2CCCO2)cc1.
What is the InChIKey of N-(4-acetamidophenyl)-2-(oxolan-2-ylmethylamino)acetamide?
The InChIKey is XABMGPAMYIEYRX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N3O3/c1-11(19)17-12-4-6-13(7-5-12)18-15(20)10-16-9-14-3-2-8-21-14/h4-7,14,16H,2-3,8-10H2,1H3,(H,17,19)(H,18,20).
What are the key properties of N-(4-acetamidophenyl)-2-(oxolan-2-ylmethylamino)acetamide?
N-(4-acetamidophenyl)-2-(oxolan-2-ylmethylamino)acetamide has a molecular weight of 291.35 g/mol, XLogP of 1.35, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-acetamidophenyl)-2-(oxolan-2-ylmethylamino)acetamide is sourced from PubChem (CID 54815392), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).