2-amino-N-[(3-hydroxyoxolan-3-yl)methyl]-2-(4-methylphenyl)acetamide

C14H20N2O3 — CID 106312973

IUPAC2-amino-N-[(3-hydroxyoxolan-3-yl)methyl]-2-(4-methylphenyl)acetamide
SMILESCc1ccc(C(N)C(=O)NCC2(O)CCOC2)cc1
InChIInChI=1S/C14H20N2O3/c1-10-2-4-11(5-3-10)12(15)13(17)16-8-14(18)6-7-19-9-14/h2-5,12,18H,6-9,15H2,1H3,(H,16,17)
InChIKeyWDEUGQRWUIVJDU-UHFFFAOYSA-N
MW264.32 g/mol
LogP0.26
Rot. Bonds4

About 2-amino-N-[(3-hydroxyoxolan-3-yl)methyl]-2-(4-methylphenyl)acetamide

2-amino-N-[(3-hydroxyoxolan-3-yl)methyl]-2-(4-methylphenyl)acetamide (PubChem CID 106312973) has the molecular formula C14H20N2O3 and a molecular weight of 264.32 g/mol. Its IUPAC name is 2-amino-N-[(3-hydroxyoxolan-3-yl)methyl]-2-(4-methylphenyl)acetamide.

Molecular Properties

Compound Name2-amino-N-[(3-hydroxyoxolan-3-yl)methyl]-2-(4-methylphenyl)acetamide
PubChem CID106312973
Molecular FormulaC14H20N2O3
Molecular Weight264.32 g/mol
Exact Mass264.15
IUPAC Name2-amino-N-[(3-hydroxyoxolan-3-yl)methyl]-2-(4-methylphenyl)acetamide
SMILESCc1ccc(C(N)C(=O)NCC2(O)CCOC2)cc1
InChIInChI=1S/C14H20N2O3/c1-10-2-4-11(5-3-10)12(15)13(17)16-8-14(18)6-7-19-9-14/h2-5,12,18H,6-9,15H2,1H3,(H,16,17)
InChIKeyWDEUGQRWUIVJDU-UHFFFAOYSA-N
XLogP0.26
TPSA84.58 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.32
LogP ≤ 50.26
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

(2R)-2-amino-N-[(4-hydroxyoxan-4-yl)methyl]-2-phenylacetamide
CID 81130040
2-amino-N-[(1-hydroxy-4-methylcyclohexyl)methyl]-2-(4-methylphenyl)acetamide
CID 106312443
2-amino-N-[(3-hydroxyoxolan-3-yl)methyl]propanamide
CID 106101394
2-amino-N-[(3-hydroxyoxolan-3-yl)methyl]-2-thiophen-2-ylacetamide
CID 106101319
2-amino-N-[(2-methyloxolan-2-yl)methyl]-2-(4-methylphenyl)acetamide;hydrochloride
CID 120668420
2-amino-N-[(1-methylcyclopropyl)methyl]-2-(4-methylphenyl)acetamide;hydrochloride
CID 120668819
2-amino-2-(4-methylphenyl)-N-[[4-(2-methylphenyl)oxan-4-yl]methyl]acetamide;hydrochloride
CID 120667836
(2S)-2-amino-N-[(3-hydroxyoxolan-3-yl)methyl]-4-methylpentanamide
CID 106101485
(2S)-2-amino-N-[(3-hydroxyoxolan-3-yl)methyl]-3,3-dimethylbutanamide
CID 106101444
3-amino-N-[(3-hydroxyoxolan-3-yl)methyl]-2-methylpropanamide
CID 106101303
2-[(3-hydroxyoxolan-3-yl)methylamino]-N-(4-methylphenyl)propanamide
CID 106100830
2-amino-N-[[1-(dimethylamino)cyclohexyl]methyl]-2-(4-methylphenyl)acetamide;hydrochloride
CID 120666652

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-[(3-hydroxyoxolan-3-yl)methyl]-2-(4-methylphenyl)acetamide?
The IUPAC name of 2-amino-N-[(3-hydroxyoxolan-3-yl)methyl]-2-(4-methylphenyl)acetamide (CID 106312973) is 2-amino-N-[(3-hydroxyoxolan-3-yl)methyl]-2-(4-methylphenyl)acetamide.
What is the SMILES notation for 2-amino-N-[(3-hydroxyoxolan-3-yl)methyl]-2-(4-methylphenyl)acetamide?
The canonical SMILES for 2-amino-N-[(3-hydroxyoxolan-3-yl)methyl]-2-(4-methylphenyl)acetamide is Cc1ccc(C(N)C(=O)NCC2(O)CCOC2)cc1.
What is the InChIKey of 2-amino-N-[(3-hydroxyoxolan-3-yl)methyl]-2-(4-methylphenyl)acetamide?
The InChIKey is WDEUGQRWUIVJDU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2O3/c1-10-2-4-11(5-3-10)12(15)13(17)16-8-14(18)6-7-19-9-14/h2-5,12,18H,6-9,15H2,1H3,(H,16,17).
What are the key properties of 2-amino-N-[(3-hydroxyoxolan-3-yl)methyl]-2-(4-methylphenyl)acetamide?
2-amino-N-[(3-hydroxyoxolan-3-yl)methyl]-2-(4-methylphenyl)acetamide has a molecular weight of 264.32 g/mol, XLogP of 0.26, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-[(3-hydroxyoxolan-3-yl)methyl]-2-(4-methylphenyl)acetamide is sourced from PubChem (CID 106312973), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).