2-[(4-hydroxyoxan-4-yl)methylamino]-N-(2-methylphenyl)acetamide

C15H22N2O3 — CID 81130530

IUPAC2-[(4-hydroxyoxan-4-yl)methylamino]-N-(2-methylphenyl)acetamide
SMILESCc1ccccc1NC(=O)CNCC1(O)CCOCC1
InChIInChI=1S/C15H22N2O3/c1-12-4-2-3-5-13(12)17-14(18)10-16-11-15(19)6-8-20-9-7-15/h2-5,16,19H,6-11H2,1H3,(H,17,18)
InChIKeyOAYPMPSRUKCPFY-UHFFFAOYSA-N
MW278.35 g/mol
LogP1.06
Rot. Bonds5

About 2-[(4-hydroxyoxan-4-yl)methylamino]-N-(2-methylphenyl)acetamide

2-[(4-hydroxyoxan-4-yl)methylamino]-N-(2-methylphenyl)acetamide (PubChem CID 81130530) has the molecular formula C15H22N2O3 and a molecular weight of 278.35 g/mol. Its IUPAC name is 2-[(4-hydroxyoxan-4-yl)methylamino]-N-(2-methylphenyl)acetamide.

Molecular Properties

Compound Name2-[(4-hydroxyoxan-4-yl)methylamino]-N-(2-methylphenyl)acetamide
PubChem CID81130530
Molecular FormulaC15H22N2O3
Molecular Weight278.35 g/mol
Exact Mass278.16
IUPAC Name2-[(4-hydroxyoxan-4-yl)methylamino]-N-(2-methylphenyl)acetamide
SMILESCc1ccccc1NC(=O)CNCC1(O)CCOCC1
InChIInChI=1S/C15H22N2O3/c1-12-4-2-3-5-13(12)17-14(18)10-16-11-15(19)6-8-20-9-7-15/h2-5,16,19H,6-11H2,1H3,(H,17,18)
InChIKeyOAYPMPSRUKCPFY-UHFFFAOYSA-N
XLogP1.06
TPSA70.59 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.35
LogP ≤ 51.06
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

2-[(3-methoxyoxolan-3-yl)methylamino]-N-(2-methylphenyl)acetamide
CID 104760816
1-[[(3R)-3-hydroxyoxolan-3-yl]methyl]-3-(2-methylphenyl)urea
CID 129397872
N-(5-chloro-2-methylphenyl)-2-[(3-hydroxyoxolan-3-yl)methylamino]acetamide
CID 106100732
2-[(1-hydroxycyclopentyl)methylamino]-N-(2-methoxyphenyl)acetamide
CID 65109213
N-(2-methylphenyl)-2-morpholin-4-ylacetamide
CID 744983
N-(2-chlorophenyl)-2-[(1-hydroxycycloheptyl)methylamino]acetamide
CID 65123307
N-(2-bromophenyl)-2-[(1-hydroxy-4-methylcyclohexyl)methylamino]acetamide
CID 65116145
2-[(4-hydroxyoxan-4-yl)methylamino]-N-pentan-2-ylacetamide
CID 81130965
N-butan-2-yl-2-[(4-hydroxyoxan-4-yl)methylamino]acetamide
CID 81131141
N-(2-methylphenyl)-2-morpholin-4-ylacetamide;oxalic acid
CID 175654128
2-[(1-hydroxycycloheptyl)methylamino]-N-phenylacetamide
CID 65122153
N-(2-bromophenyl)-2-[(3-methoxyoxolan-3-yl)methylamino]acetamide
CID 104760787

Frequently Asked Questions

What is the IUPAC name of 2-[(4-hydroxyoxan-4-yl)methylamino]-N-(2-methylphenyl)acetamide?
The IUPAC name of 2-[(4-hydroxyoxan-4-yl)methylamino]-N-(2-methylphenyl)acetamide (CID 81130530) is 2-[(4-hydroxyoxan-4-yl)methylamino]-N-(2-methylphenyl)acetamide.
What is the SMILES notation for 2-[(4-hydroxyoxan-4-yl)methylamino]-N-(2-methylphenyl)acetamide?
The canonical SMILES for 2-[(4-hydroxyoxan-4-yl)methylamino]-N-(2-methylphenyl)acetamide is Cc1ccccc1NC(=O)CNCC1(O)CCOCC1.
What is the InChIKey of 2-[(4-hydroxyoxan-4-yl)methylamino]-N-(2-methylphenyl)acetamide?
The InChIKey is OAYPMPSRUKCPFY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2O3/c1-12-4-2-3-5-13(12)17-14(18)10-16-11-15(19)6-8-20-9-7-15/h2-5,16,19H,6-11H2,1H3,(H,17,18).
What are the key properties of 2-[(4-hydroxyoxan-4-yl)methylamino]-N-(2-methylphenyl)acetamide?
2-[(4-hydroxyoxan-4-yl)methylamino]-N-(2-methylphenyl)acetamide has a molecular weight of 278.35 g/mol, XLogP of 1.06, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-hydroxyoxan-4-yl)methylamino]-N-(2-methylphenyl)acetamide is sourced from PubChem (CID 81130530), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).