N-[2-(6-hydroxy-3-methyl-2H-1,3-benzoxazol-2-yl)ethyl]-4-methylbenzamide

C18H20N2O3 — CID 54281599

IUPACN-[2-(6-hydroxy-3-methyl-2H-1,3-benzoxazol-2-yl)ethyl]-4-methylbenzamide
SMILESCc1ccc(C(=O)NCCC2Oc3cc(O)ccc3N2C)cc1
InChIInChI=1S/C18H20N2O3/c1-12-3-5-13(6-4-12)18(22)19-10-9-17-20(2)15-8-7-14(21)11-16(15)23-17/h3-8,11,17,21H,9-10H2,1-2H3,(H,19,22)
InChIKeyRRDUTDUNIMQPHX-UHFFFAOYSA-N
MW312.37 g/mol
LogP2.68
Rot. Bonds4

About N-[2-(6-hydroxy-3-methyl-2H-1,3-benzoxazol-2-yl)ethyl]-4-methylbenzamide

N-[2-(6-hydroxy-3-methyl-2H-1,3-benzoxazol-2-yl)ethyl]-4-methylbenzamide (PubChem CID 54281599) has the molecular formula C18H20N2O3 and a molecular weight of 312.37 g/mol. Its IUPAC name is N-[2-(6-hydroxy-3-methyl-2H-1,3-benzoxazol-2-yl)ethyl]-4-methylbenzamide.

Molecular Properties

Compound NameN-[2-(6-hydroxy-3-methyl-2H-1,3-benzoxazol-2-yl)ethyl]-4-methylbenzamide
PubChem CID54281599
Molecular FormulaC18H20N2O3
Molecular Weight312.37 g/mol
Exact Mass312.15
IUPAC NameN-[2-(6-hydroxy-3-methyl-2H-1,3-benzoxazol-2-yl)ethyl]-4-methylbenzamide
SMILESCc1ccc(C(=O)NCCC2Oc3cc(O)ccc3N2C)cc1
InChIInChI=1S/C18H20N2O3/c1-12-3-5-13(6-4-12)18(22)19-10-9-17-20(2)15-8-7-14(21)11-16(15)23-17/h3-8,11,17,21H,9-10H2,1-2H3,(H,19,22)
InChIKeyRRDUTDUNIMQPHX-UHFFFAOYSA-N
XLogP2.68
TPSA61.80 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.37
LogP ≤ 52.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[2-[bis[2-[(4-methylbenzoyl)amino]ethyl]amino]ethyl]-4-methylbenzamide
CID 15462667
4-methyl-N-(2-morpholin-4-ylethyl)benzamide
CID 803484
N-(2-acetamidoethyl)-4-methylbenzamide
CID 4186573
4-methyl-N-[2-(methylamino)ethyl]benzamide
CID 59535801
4-methyl-N-[3-(methylamino)propyl]benzamide
CID 18336628
N-[2-(diethylcarbamoylamino)ethyl]-4-methylbenzamide
CID 108570702
N-[2-(cyclopropylamino)ethyl]-4-methylbenzamide
CID 62662954
N-[2-(1-cyclopropylpropylamino)ethyl]-4-methylbenzamide
CID 64920352
N-[2-[(4-methoxybenzoyl)amino]ethyl]-4-methylbenzamide
CID 108537787
N-[2-[(2-aminoacetyl)amino]ethyl]-4-methylbenzamide
CID 54880610
4-methyl-N-(4-oxopentyl)benzamide
CID 86117000
4-methyl-N-[2-(3-oxobutanoylamino)ethyl]benzamide
CID 54880636

Frequently Asked Questions

What is the IUPAC name of N-[2-(6-hydroxy-3-methyl-2H-1,3-benzoxazol-2-yl)ethyl]-4-methylbenzamide?
The IUPAC name of N-[2-(6-hydroxy-3-methyl-2H-1,3-benzoxazol-2-yl)ethyl]-4-methylbenzamide (CID 54281599) is N-[2-(6-hydroxy-3-methyl-2H-1,3-benzoxazol-2-yl)ethyl]-4-methylbenzamide.
What is the SMILES notation for N-[2-(6-hydroxy-3-methyl-2H-1,3-benzoxazol-2-yl)ethyl]-4-methylbenzamide?
The canonical SMILES for N-[2-(6-hydroxy-3-methyl-2H-1,3-benzoxazol-2-yl)ethyl]-4-methylbenzamide is Cc1ccc(C(=O)NCCC2Oc3cc(O)ccc3N2C)cc1.
What is the InChIKey of N-[2-(6-hydroxy-3-methyl-2H-1,3-benzoxazol-2-yl)ethyl]-4-methylbenzamide?
The InChIKey is RRDUTDUNIMQPHX-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N2O3/c1-12-3-5-13(6-4-12)18(22)19-10-9-17-20(2)15-8-7-14(21)11-16(15)23-17/h3-8,11,17,21H,9-10H2,1-2H3,(H,19,22).
What are the key properties of N-[2-(6-hydroxy-3-methyl-2H-1,3-benzoxazol-2-yl)ethyl]-4-methylbenzamide?
N-[2-(6-hydroxy-3-methyl-2H-1,3-benzoxazol-2-yl)ethyl]-4-methylbenzamide has a molecular weight of 312.37 g/mol, XLogP of 2.68, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(6-hydroxy-3-methyl-2H-1,3-benzoxazol-2-yl)ethyl]-4-methylbenzamide is sourced from PubChem (CID 54281599), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).