N-(4-methylphenyl)-2-(oxolan-3-ylamino)acetamide

C13H18N2O2 — CID 80713616

IUPACN-(4-methylphenyl)-2-(oxolan-3-ylamino)acetamide
SMILESCc1ccc(NC(=O)CNC2CCOC2)cc1
InChIInChI=1S/C13H18N2O2/c1-10-2-4-11(5-3-10)15-13(16)8-14-12-6-7-17-9-12/h2-5,12,14H,6-9H2,1H3,(H,15,16)
InChIKeyDMPRBEOEYGICIN-UHFFFAOYSA-N
MW234.30 g/mol
LogP1.31
Rot. Bonds4

About N-(4-methylphenyl)-2-(oxolan-3-ylamino)acetamide

N-(4-methylphenyl)-2-(oxolan-3-ylamino)acetamide (PubChem CID 80713616) has the molecular formula C13H18N2O2 and a molecular weight of 234.30 g/mol. Its IUPAC name is N-(4-methylphenyl)-2-(oxolan-3-ylamino)acetamide.

Molecular Properties

Compound NameN-(4-methylphenyl)-2-(oxolan-3-ylamino)acetamide
PubChem CID80713616
Molecular FormulaC13H18N2O2
Molecular Weight234.30 g/mol
Exact Mass234.14
IUPAC NameN-(4-methylphenyl)-2-(oxolan-3-ylamino)acetamide
SMILESCc1ccc(NC(=O)CNC2CCOC2)cc1
InChIInChI=1S/C13H18N2O2/c1-10-2-4-11(5-3-10)15-13(16)8-14-12-6-7-17-9-12/h2-5,12,14H,6-9H2,1H3,(H,15,16)
InChIKeyDMPRBEOEYGICIN-UHFFFAOYSA-N
XLogP1.31
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.30
LogP ≤ 51.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-[(4-methylcyclohexyl)amino]-N-(4-methylphenyl)acetamide
CID 28579743
N-(4-methylphenyl)-2-[1-(oxan-3-yl)ethylamino]acetamide
CID 122141299
N-(5-methyl-2-pyridinyl)-2-(oxan-4-ylamino)acetamide
CID 135232757
N-(4-methylphenyl)-2-[(1-propylpiperidin-4-yl)amino]acetamide
CID 60695712
2-[(3-ethylcyclohexyl)amino]-N-(4-methylphenyl)acetamide
CID 64742801
2-[(2-methylcyclohexyl)amino]-N-(4-methylphenyl)acetamide
CID 43179972
2-(cyclopropylmethylamino)-N-(4-methylphenyl)acetamide
CID 28566911
N-[4-(oxan-4-ylamino)phenyl]propanamide
CID 43720580
N-cycloheptyl-2-(oxolan-3-ylamino)acetamide
CID 80714047
2-(cyclopentylamino)-N-(4-hydroxyphenyl)acetamide
CID 54918004
N-[2-(4-methylanilino)-2-oxoethyl]cyclopropanecarboxamide
CID 46410880
2-(4-methylphenyl)-N-(oxan-4-yl)acetamide
CID 110726863

Frequently Asked Questions

What is the IUPAC name of N-(4-methylphenyl)-2-(oxolan-3-ylamino)acetamide?
The IUPAC name of N-(4-methylphenyl)-2-(oxolan-3-ylamino)acetamide (CID 80713616) is N-(4-methylphenyl)-2-(oxolan-3-ylamino)acetamide.
What is the SMILES notation for N-(4-methylphenyl)-2-(oxolan-3-ylamino)acetamide?
The canonical SMILES for N-(4-methylphenyl)-2-(oxolan-3-ylamino)acetamide is Cc1ccc(NC(=O)CNC2CCOC2)cc1.
What is the InChIKey of N-(4-methylphenyl)-2-(oxolan-3-ylamino)acetamide?
The InChIKey is DMPRBEOEYGICIN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N2O2/c1-10-2-4-11(5-3-10)15-13(16)8-14-12-6-7-17-9-12/h2-5,12,14H,6-9H2,1H3,(H,15,16).
What are the key properties of N-(4-methylphenyl)-2-(oxolan-3-ylamino)acetamide?
N-(4-methylphenyl)-2-(oxolan-3-ylamino)acetamide has a molecular weight of 234.30 g/mol, XLogP of 1.31, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-methylphenyl)-2-(oxolan-3-ylamino)acetamide is sourced from PubChem (CID 80713616), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).