N-[(4-acetamidophenyl)methyl]-2-(oxolan-2-ylmethylamino)acetamide

C16H23N3O3 — CID 50977763

IUPACN-[(4-acetamidophenyl)methyl]-2-(oxolan-2-ylmethylamino)acetamide
SMILESCC(=O)Nc1ccc(CNC(=O)CNCC2CCCO2)cc1
InChIInChI=1S/C16H23N3O3/c1-12(20)19-14-6-4-13(5-7-14)9-18-16(21)11-17-10-15-3-2-8-22-15/h4-7,15,17H,2-3,8-11H2,1H3,(H,18,21)(H,19,20)
InChIKeyUUVMJNRRBSAKEU-UHFFFAOYSA-N
MW305.38 g/mol
LogP1.03
Rot. Bonds7

About N-[(4-acetamidophenyl)methyl]-2-(oxolan-2-ylmethylamino)acetamide

N-[(4-acetamidophenyl)methyl]-2-(oxolan-2-ylmethylamino)acetamide (PubChem CID 50977763) has the molecular formula C16H23N3O3 and a molecular weight of 305.38 g/mol. Its IUPAC name is N-[(4-acetamidophenyl)methyl]-2-(oxolan-2-ylmethylamino)acetamide.

Molecular Properties

Compound NameN-[(4-acetamidophenyl)methyl]-2-(oxolan-2-ylmethylamino)acetamide
PubChem CID50977763
Molecular FormulaC16H23N3O3
Molecular Weight305.38 g/mol
Exact Mass305.17
IUPAC NameN-[(4-acetamidophenyl)methyl]-2-(oxolan-2-ylmethylamino)acetamide
SMILESCC(=O)Nc1ccc(CNC(=O)CNCC2CCCO2)cc1
InChIInChI=1S/C16H23N3O3/c1-12(20)19-14-6-4-13(5-7-14)9-18-16(21)11-17-10-15-3-2-8-22-15/h4-7,15,17H,2-3,8-11H2,1H3,(H,18,21)(H,19,20)
InChIKeyUUVMJNRRBSAKEU-UHFFFAOYSA-N
XLogP1.03
TPSA79.46 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.38
LogP ≤ 51.03
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

N-(4-acetamidophenyl)-2-(oxolan-2-ylmethylamino)acetamide
CID 54815392
N-[(4-methylphenyl)methyl]-2-(oxolan-2-ylmethylamino)acetamide;hydrochloride
CID 119677338
N-benzyl-2-(oxan-2-ylmethylamino)acetamide
CID 60971571
N-[(3,4-dimethoxyphenyl)methyl]-2-(oxolan-2-ylmethylamino)acetamide
CID 108994259
N-[(3-methylphenyl)methyl]-2-(oxolan-2-ylmethylamino)acetamide
CID 108994238
N-(4-methylphenyl)-2-(oxan-2-ylmethylamino)acetamide
CID 55014055
N'-(4-acetamidophenyl)-N-[[(2S)-oxolan-2-yl]methyl]oxamide
CID 7379139
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-[[(2R)-oxolan-2-yl]methyl]-2-[[(2R)-oxolan-2-yl]methylamino]acetamide
CID 7437120
N-(4-ethylphenyl)-3-(oxolan-2-ylmethylamino)propanamide
CID 109016072

Frequently Asked Questions

What is the IUPAC name of N-[(4-acetamidophenyl)methyl]-2-(oxolan-2-ylmethylamino)acetamide?
The IUPAC name of N-[(4-acetamidophenyl)methyl]-2-(oxolan-2-ylmethylamino)acetamide (CID 50977763) is N-[(4-acetamidophenyl)methyl]-2-(oxolan-2-ylmethylamino)acetamide.
What is the SMILES notation for N-[(4-acetamidophenyl)methyl]-2-(oxolan-2-ylmethylamino)acetamide?
The canonical SMILES for N-[(4-acetamidophenyl)methyl]-2-(oxolan-2-ylmethylamino)acetamide is CC(=O)Nc1ccc(CNC(=O)CNCC2CCCO2)cc1.
What is the InChIKey of N-[(4-acetamidophenyl)methyl]-2-(oxolan-2-ylmethylamino)acetamide?
The InChIKey is UUVMJNRRBSAKEU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23N3O3/c1-12(20)19-14-6-4-13(5-7-14)9-18-16(21)11-17-10-15-3-2-8-22-15/h4-7,15,17H,2-3,8-11H2,1H3,(H,18,21)(H,19,20).
What are the key properties of N-[(4-acetamidophenyl)methyl]-2-(oxolan-2-ylmethylamino)acetamide?
N-[(4-acetamidophenyl)methyl]-2-(oxolan-2-ylmethylamino)acetamide has a molecular weight of 305.38 g/mol, XLogP of 1.03, 7 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-acetamidophenyl)methyl]-2-(oxolan-2-ylmethylamino)acetamide is sourced from PubChem (CID 50977763), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).