N-[[3-(dimethylamino)phenyl]methyl]-3-(2-oxo-1,3-benzoxazol-3-yl)propanamide

C19H21N3O3 — CID 47088605

IUPACN-[[3-(dimethylamino)phenyl]methyl]-3-(2-oxo-1,3-benzoxazol-3-yl)propanamide
SMILESCN(C)c1cccc(CNC(=O)CCn2c(=O)oc3ccccc32)c1
InChIInChI=1S/C19H21N3O3/c1-21(2)15-7-5-6-14(12-15)13-20-18(23)10-11-22-16-8-3-4-9-17(16)25-19(22)24/h3-9,12H,10-11,13H2,1-2H3,(H,20,23)
InChIKeyNIBZVTTYTFVQCX-UHFFFAOYSA-N
MW339.40 g/mol
LogP2.37
Rot. Bonds6

About N-[[3-(dimethylamino)phenyl]methyl]-3-(2-oxo-1,3-benzoxazol-3-yl)propanamide

N-[[3-(dimethylamino)phenyl]methyl]-3-(2-oxo-1,3-benzoxazol-3-yl)propanamide (PubChem CID 47088605) has the molecular formula C19H21N3O3 and a molecular weight of 339.40 g/mol. Its IUPAC name is N-[[3-(dimethylamino)phenyl]methyl]-3-(2-oxo-1,3-benzoxazol-3-yl)propanamide.

Molecular Properties

Compound NameN-[[3-(dimethylamino)phenyl]methyl]-3-(2-oxo-1,3-benzoxazol-3-yl)propanamide
PubChem CID47088605
Molecular FormulaC19H21N3O3
Molecular Weight339.40 g/mol
Exact Mass339.16
IUPAC NameN-[[3-(dimethylamino)phenyl]methyl]-3-(2-oxo-1,3-benzoxazol-3-yl)propanamide
SMILESCN(C)c1cccc(CNC(=O)CCn2c(=O)oc3ccccc32)c1
InChIInChI=1S/C19H21N3O3/c1-21(2)15-7-5-6-14(12-15)13-20-18(23)10-11-22-16-8-3-4-9-17(16)25-19(22)24/h3-9,12H,10-11,13H2,1-2H3,(H,20,23)
InChIKeyNIBZVTTYTFVQCX-UHFFFAOYSA-N
XLogP2.37
TPSA67.48 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.40
LogP ≤ 52.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-3-(2-oxo-1,3-benzoxazol-3-yl)propanamide
CID 51195650
N-[(4-cyanophenyl)methyl]-3-(2-oxo-1,3-benzoxazol-3-yl)propanamide
CID 52571612
N-[[3-(methylsulfamoyl)phenyl]methyl]-2-(2-oxo-1,3-benzoxazol-3-yl)acetamide
CID 38972126
N-[[3-[(3-methylphenyl)carbamoylamino]phenyl]methyl]-4-(2-oxo-1,3-benzoxazol-3-yl)butanamide
CID 55817540
3-(2-oxo-1,3-benzoxazol-3-yl)-N-(3-phenylpropyl)propanamide
CID 27844689
N-butyl-4-[[3-(2-oxo-1,3-benzoxazol-3-yl)propanoylamino]methyl]benzamide
CID 86986290
N-(2-aminoethyl)-3-(2-oxo-1,3-benzoxazol-3-yl)propanamide
CID 82344583
N-[(2R)-2-(dimethylamino)-2-(3-fluorophenyl)ethyl]-3-(2-oxo-1,3-benzoxazol-3-yl)propanamide
CID 39956388
N,N-dimethyl-4-[[[2-(2-oxo-1,3-benzoxazol-3-yl)acetyl]amino]methyl]benzamide
CID 134039189
N-[2-(methylamino)propyl]-3-(2-oxo-1,3-benzoxazol-3-yl)propanamide
CID 120828743
N-tert-butyl-3-(2-oxo-1,3-benzoxazol-3-yl)propanamide
CID 51197823
N-[[2-(methanesulfonamido)phenyl]methyl]-3-(2-oxo-1,3-benzoxazol-3-yl)propanamide
CID 46476334

Frequently Asked Questions

What is the IUPAC name of N-[[3-(dimethylamino)phenyl]methyl]-3-(2-oxo-1,3-benzoxazol-3-yl)propanamide?
The IUPAC name of N-[[3-(dimethylamino)phenyl]methyl]-3-(2-oxo-1,3-benzoxazol-3-yl)propanamide (CID 47088605) is N-[[3-(dimethylamino)phenyl]methyl]-3-(2-oxo-1,3-benzoxazol-3-yl)propanamide.
What is the SMILES notation for N-[[3-(dimethylamino)phenyl]methyl]-3-(2-oxo-1,3-benzoxazol-3-yl)propanamide?
The canonical SMILES for N-[[3-(dimethylamino)phenyl]methyl]-3-(2-oxo-1,3-benzoxazol-3-yl)propanamide is CN(C)c1cccc(CNC(=O)CCn2c(=O)oc3ccccc32)c1.
What is the InChIKey of N-[[3-(dimethylamino)phenyl]methyl]-3-(2-oxo-1,3-benzoxazol-3-yl)propanamide?
The InChIKey is NIBZVTTYTFVQCX-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21N3O3/c1-21(2)15-7-5-6-14(12-15)13-20-18(23)10-11-22-16-8-3-4-9-17(16)25-19(22)24/h3-9,12H,10-11,13H2,1-2H3,(H,20,23).
What are the key properties of N-[[3-(dimethylamino)phenyl]methyl]-3-(2-oxo-1,3-benzoxazol-3-yl)propanamide?
N-[[3-(dimethylamino)phenyl]methyl]-3-(2-oxo-1,3-benzoxazol-3-yl)propanamide has a molecular weight of 339.40 g/mol, XLogP of 2.37, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[3-(dimethylamino)phenyl]methyl]-3-(2-oxo-1,3-benzoxazol-3-yl)propanamide is sourced from PubChem (CID 47088605), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).