N-[3-[benzyl(methyl)amino]propyl]-2-(2-oxo-1,3-benzoxazol-3-yl)acetamide

C20H23N3O3 — CID 4244209

IUPACN-[3-[benzyl(methyl)amino]propyl]-2-(2-oxo-1,3-benzoxazol-3-yl)acetamide
SMILESCN(CCCNC(=O)Cn1c(=O)oc2ccccc21)Cc1ccccc1
InChIInChI=1S/C20H23N3O3/c1-22(14-16-8-3-2-4-9-16)13-7-12-21-19(24)15-23-17-10-5-6-11-18(17)26-20(23)25/h2-6,8-11H,7,12-15H2,1H3,(H,21,24)
InChIKeyBOLUNMHFLXFSOR-UHFFFAOYSA-N
MW353.42 g/mol
LogP2.23
Rot. Bonds8

About N-[3-[benzyl(methyl)amino]propyl]-2-(2-oxo-1,3-benzoxazol-3-yl)acetamide

N-[3-[benzyl(methyl)amino]propyl]-2-(2-oxo-1,3-benzoxazol-3-yl)acetamide (PubChem CID 4244209) has the molecular formula C20H23N3O3 and a molecular weight of 353.42 g/mol. Its IUPAC name is N-[3-[benzyl(methyl)amino]propyl]-2-(2-oxo-1,3-benzoxazol-3-yl)acetamide.

Molecular Properties

Compound NameN-[3-[benzyl(methyl)amino]propyl]-2-(2-oxo-1,3-benzoxazol-3-yl)acetamide
PubChem CID4244209
Molecular FormulaC20H23N3O3
Molecular Weight353.42 g/mol
Exact Mass353.17
IUPAC NameN-[3-[benzyl(methyl)amino]propyl]-2-(2-oxo-1,3-benzoxazol-3-yl)acetamide
SMILESCN(CCCNC(=O)Cn1c(=O)oc2ccccc21)Cc1ccccc1
InChIInChI=1S/C20H23N3O3/c1-22(14-16-8-3-2-4-9-16)13-7-12-21-19(24)15-23-17-10-5-6-11-18(17)26-20(23)25/h2-6,8-11H,7,12-15H2,1H3,(H,21,24)
InChIKeyBOLUNMHFLXFSOR-UHFFFAOYSA-N
XLogP2.23
TPSA67.48 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.42
LogP ≤ 52.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-butyl-2-(2-oxo-1,3-benzoxazol-3-yl)acetamide
CID 4808042
N-[2-[di(propan-2-yl)amino]ethyl]-2-(2-oxo-1,3-benzoxazol-3-yl)acetamide
CID 46522148
N-(4-hydroxypentyl)-2-(2-oxo-1,3-benzoxazol-3-yl)acetamide
CID 107299698
N-(2-methoxyethyl)-2-(2-oxo-1,3-benzoxazol-3-yl)acetamide
CID 3580508
N,N-dimethyl-4-[[[2-(2-oxo-1,3-benzoxazol-3-yl)acetyl]amino]methyl]benzamide
CID 134039189
N-[3-(1,2-oxazol-4-yl)propyl]-2-(2-oxo-1,3-benzoxazol-3-yl)acetamide
CID 91814413
3-(2-oxo-1,3-benzoxazol-3-yl)-N-(3-phenylpropyl)propanamide
CID 27844689
2-(2-oxo-1,3-benzoxazol-3-yl)-N-[3-(4-phenylpiperazin-1-yl)propyl]acetamide
CID 38449520
2-methyl-3-[[2-(2-oxo-1,3-benzoxazol-3-yl)acetyl]amino]propanoic acid
CID 62676565
N-[2-[butan-2-yl(furan-2-ylmethyl)amino]ethyl]-2-(2-oxo-1,3-benzoxazol-3-yl)acetamide
CID 20949240
2-amino-N-[3-[benzyl(methyl)amino]propyl]acetamide;dihydrochloride
CID 119835671
N-(2-ethylbutyl)-2-(2-oxo-1,3-benzoxazol-3-yl)acetamide
CID 115612682

Frequently Asked Questions

What is the IUPAC name of N-[3-[benzyl(methyl)amino]propyl]-2-(2-oxo-1,3-benzoxazol-3-yl)acetamide?
The IUPAC name of N-[3-[benzyl(methyl)amino]propyl]-2-(2-oxo-1,3-benzoxazol-3-yl)acetamide (CID 4244209) is N-[3-[benzyl(methyl)amino]propyl]-2-(2-oxo-1,3-benzoxazol-3-yl)acetamide.
What is the SMILES notation for N-[3-[benzyl(methyl)amino]propyl]-2-(2-oxo-1,3-benzoxazol-3-yl)acetamide?
The canonical SMILES for N-[3-[benzyl(methyl)amino]propyl]-2-(2-oxo-1,3-benzoxazol-3-yl)acetamide is CN(CCCNC(=O)Cn1c(=O)oc2ccccc21)Cc1ccccc1.
What is the InChIKey of N-[3-[benzyl(methyl)amino]propyl]-2-(2-oxo-1,3-benzoxazol-3-yl)acetamide?
The InChIKey is BOLUNMHFLXFSOR-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23N3O3/c1-22(14-16-8-3-2-4-9-16)13-7-12-21-19(24)15-23-17-10-5-6-11-18(17)26-20(23)25/h2-6,8-11H,7,12-15H2,1H3,(H,21,24).
What are the key properties of N-[3-[benzyl(methyl)amino]propyl]-2-(2-oxo-1,3-benzoxazol-3-yl)acetamide?
N-[3-[benzyl(methyl)amino]propyl]-2-(2-oxo-1,3-benzoxazol-3-yl)acetamide has a molecular weight of 353.42 g/mol, XLogP of 2.23, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[benzyl(methyl)amino]propyl]-2-(2-oxo-1,3-benzoxazol-3-yl)acetamide is sourced from PubChem (CID 4244209), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).