N-[(2-methylphenyl)methyl]-2-(2-oxo-1,3-benzoxazol-3-yl)-N-(oxolan-2-ylmethyl)acetamide

C22H24N2O4 — CID 131897549

IUPACN-[(2-methylphenyl)methyl]-2-(2-oxo-1,3-benzoxazol-3-yl)-N-(oxolan-2-ylmethyl)acetamide
SMILESCc1ccccc1CN(CC1CCCO1)C(=O)Cn1c(=O)oc2ccccc21
InChIInChI=1S/C22H24N2O4/c1-16-7-2-3-8-17(16)13-23(14-18-9-6-12-27-18)21(25)15-24-19-10-4-5-11-20(19)28-22(24)26/h2-5,7-8,10-11,18H,6,9,12-15H2,1H3
InChIKeyNGDNHXGGODZSJY-UHFFFAOYSA-N
MW380.44 g/mol
LogP3.11
Rot. Bonds6

About N-[(2-methylphenyl)methyl]-2-(2-oxo-1,3-benzoxazol-3-yl)-N-(oxolan-2-ylmethyl)acetamide

N-[(2-methylphenyl)methyl]-2-(2-oxo-1,3-benzoxazol-3-yl)-N-(oxolan-2-ylmethyl)acetamide (PubChem CID 131897549) has the molecular formula C22H24N2O4 and a molecular weight of 380.44 g/mol. Its IUPAC name is N-[(2-methylphenyl)methyl]-2-(2-oxo-1,3-benzoxazol-3-yl)-N-(oxolan-2-ylmethyl)acetamide.

Molecular Properties

Compound NameN-[(2-methylphenyl)methyl]-2-(2-oxo-1,3-benzoxazol-3-yl)-N-(oxolan-2-ylmethyl)acetamide
PubChem CID131897549
Molecular FormulaC22H24N2O4
Molecular Weight380.44 g/mol
Exact Mass380.17
IUPAC NameN-[(2-methylphenyl)methyl]-2-(2-oxo-1,3-benzoxazol-3-yl)-N-(oxolan-2-ylmethyl)acetamide
SMILESCc1ccccc1CN(CC1CCCO1)C(=O)Cn1c(=O)oc2ccccc21
InChIInChI=1S/C22H24N2O4/c1-16-7-2-3-8-17(16)13-23(14-18-9-6-12-27-18)21(25)15-24-19-10-4-5-11-20(19)28-22(24)26/h2-5,7-8,10-11,18H,6,9,12-15H2,1H3
InChIKeyNGDNHXGGODZSJY-UHFFFAOYSA-N
XLogP3.11
TPSA64.68 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.44
LogP ≤ 53.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

N-[(2-methoxyphenyl)methyl]-3-(2-oxo-1,3-benzoxazol-3-yl)-N-(oxolan-2-ylmethyl)propanamide
CID 55968770
N-[(2-methylphenyl)methyl]-2-(3-oxo-1H-indazol-2-yl)-N-(oxolan-2-ylmethyl)acetamide
CID 74248985
4-(2-oxo-1,3-benzoxazol-3-yl)-N-(oxolan-2-ylmethyl)-N-(thiophen-2-ylmethyl)butanamide
CID 55389254
N-(4,7-dimethyl-1,3-benzothiazol-2-yl)-2-(2-oxo-1,3-benzoxazol-3-yl)-N-[[(2R)-oxolan-2-yl]methyl]acetamide
CID 93491174
2-(3,5-dimethyl-1H-pyrazol-4-yl)-N-[(2-methylphenyl)methyl]-N-(oxolan-2-ylmethyl)acetamide
CID 74246165
N-[(2-methylphenyl)methyl]-N-[[(2S)-oxolan-2-yl]methyl]-2-propan-2-ylpyrazole-3-carboxamide
CID 99948704
N-(cyclohexylmethyl)-N-cyclopropyl-2-(2-oxo-1,3-benzoxazol-3-yl)acetamide
CID 87028766
2-methoxy-6-methyl-N-[(2-methylphenyl)methyl]-N-(oxolan-2-ylmethyl)benzamide
CID 131930751
N,N-dimethyl-2-(2-oxo-1,3-benzoxazol-3-yl)acetamide
CID 672457
N-[(3-methylphenyl)methyl]-2-(2-oxo-3H-benzimidazol-1-yl)-N-[[(2S)-oxolan-2-yl]methyl]acetamide
CID 97273224
1-[(2-methylphenyl)methyl]-1-[[(2R)-oxolan-2-yl]methyl]-3-[2-(2-oxo-1,3-oxazinan-3-yl)ethyl]urea
CID 126441875
ethyl 2-[[2-(2-oxo-1,3-benzoxazol-3-yl)acetyl]-propylamino]acetate
CID 87020688

Frequently Asked Questions

What is the IUPAC name of N-[(2-methylphenyl)methyl]-2-(2-oxo-1,3-benzoxazol-3-yl)-N-(oxolan-2-ylmethyl)acetamide?
The IUPAC name of N-[(2-methylphenyl)methyl]-2-(2-oxo-1,3-benzoxazol-3-yl)-N-(oxolan-2-ylmethyl)acetamide (CID 131897549) is N-[(2-methylphenyl)methyl]-2-(2-oxo-1,3-benzoxazol-3-yl)-N-(oxolan-2-ylmethyl)acetamide.
What is the SMILES notation for N-[(2-methylphenyl)methyl]-2-(2-oxo-1,3-benzoxazol-3-yl)-N-(oxolan-2-ylmethyl)acetamide?
The canonical SMILES for N-[(2-methylphenyl)methyl]-2-(2-oxo-1,3-benzoxazol-3-yl)-N-(oxolan-2-ylmethyl)acetamide is Cc1ccccc1CN(CC1CCCO1)C(=O)Cn1c(=O)oc2ccccc21.
What is the InChIKey of N-[(2-methylphenyl)methyl]-2-(2-oxo-1,3-benzoxazol-3-yl)-N-(oxolan-2-ylmethyl)acetamide?
The InChIKey is NGDNHXGGODZSJY-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24N2O4/c1-16-7-2-3-8-17(16)13-23(14-18-9-6-12-27-18)21(25)15-24-19-10-4-5-11-20(19)28-22(24)26/h2-5,7-8,10-11,18H,6,9,12-15H2,1H3.
What are the key properties of N-[(2-methylphenyl)methyl]-2-(2-oxo-1,3-benzoxazol-3-yl)-N-(oxolan-2-ylmethyl)acetamide?
N-[(2-methylphenyl)methyl]-2-(2-oxo-1,3-benzoxazol-3-yl)-N-(oxolan-2-ylmethyl)acetamide has a molecular weight of 380.44 g/mol, XLogP of 3.11, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-methylphenyl)methyl]-2-(2-oxo-1,3-benzoxazol-3-yl)-N-(oxolan-2-ylmethyl)acetamide is sourced from PubChem (CID 131897549), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).