N-benzyl-N-methyl-3-(2-oxo-1,3-benzoxazol-3-yl)propanamide

C18H18N2O3 — CID 5310174

IUPACN-benzyl-N-methyl-3-(2-oxo-1,3-benzoxazol-3-yl)propanamide
SMILESCN(Cc1ccccc1)C(=O)CCn1c(=O)oc2ccccc21
InChIInChI=1S/C18H18N2O3/c1-19(13-14-7-3-2-4-8-14)17(21)11-12-20-15-9-5-6-10-16(15)23-18(20)22/h2-10H,11-13H2,1H3
InChIKeyYCLHOOVCNFENHP-UHFFFAOYSA-N
MW310.35 g/mol
LogP2.64
Rot. Bonds5

About N-benzyl-N-methyl-3-(2-oxo-1,3-benzoxazol-3-yl)propanamide

N-benzyl-N-methyl-3-(2-oxo-1,3-benzoxazol-3-yl)propanamide (PubChem CID 5310174) has the molecular formula C18H18N2O3 and a molecular weight of 310.35 g/mol. Its IUPAC name is N-benzyl-N-methyl-3-(2-oxo-1,3-benzoxazol-3-yl)propanamide.

Molecular Properties

Compound NameN-benzyl-N-methyl-3-(2-oxo-1,3-benzoxazol-3-yl)propanamide
PubChem CID5310174
Molecular FormulaC18H18N2O3
Molecular Weight310.35 g/mol
Exact Mass310.13
IUPAC NameN-benzyl-N-methyl-3-(2-oxo-1,3-benzoxazol-3-yl)propanamide
SMILESCN(Cc1ccccc1)C(=O)CCn1c(=O)oc2ccccc21
InChIInChI=1S/C18H18N2O3/c1-19(13-14-7-3-2-4-8-14)17(21)11-12-20-15-9-5-6-10-16(15)23-18(20)22/h2-10H,11-13H2,1H3
InChIKeyYCLHOOVCNFENHP-UHFFFAOYSA-N
XLogP2.64
TPSA55.45 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.35
LogP ≤ 52.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-benzyl-N-methyl-3-(2-oxo-1,3-benzoxazol-3-yl)propanamide?
The IUPAC name of N-benzyl-N-methyl-3-(2-oxo-1,3-benzoxazol-3-yl)propanamide (CID 5310174) is N-benzyl-N-methyl-3-(2-oxo-1,3-benzoxazol-3-yl)propanamide.
What is the SMILES notation for N-benzyl-N-methyl-3-(2-oxo-1,3-benzoxazol-3-yl)propanamide?
The canonical SMILES for N-benzyl-N-methyl-3-(2-oxo-1,3-benzoxazol-3-yl)propanamide is CN(Cc1ccccc1)C(=O)CCn1c(=O)oc2ccccc21.
What is the InChIKey of N-benzyl-N-methyl-3-(2-oxo-1,3-benzoxazol-3-yl)propanamide?
The InChIKey is YCLHOOVCNFENHP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18N2O3/c1-19(13-14-7-3-2-4-8-14)17(21)11-12-20-15-9-5-6-10-16(15)23-18(20)22/h2-10H,11-13H2,1H3.
What are the key properties of N-benzyl-N-methyl-3-(2-oxo-1,3-benzoxazol-3-yl)propanamide?
N-benzyl-N-methyl-3-(2-oxo-1,3-benzoxazol-3-yl)propanamide has a molecular weight of 310.35 g/mol, XLogP of 2.64, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-N-methyl-3-(2-oxo-1,3-benzoxazol-3-yl)propanamide is sourced from PubChem (CID 5310174), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).