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

C22H27N3O2 — CID 22519768

IUPAC2-(1,2-benzoxazol-3-yl)-N-[3-[benzyl(propan-2-yl)amino]propyl]acetamide
SMILESCC(C)N(CCCNC(=O)Cc1noc2ccccc12)Cc1ccccc1
InChIInChI=1S/C22H27N3O2/c1-17(2)25(16-18-9-4-3-5-10-18)14-8-13-23-22(26)15-20-19-11-6-7-12-21(19)27-24-20/h3-7,9-12,17H,8,13-16H2,1-2H3,(H,23,26)
InChIKeyHZNCELFQMOXAAR-UHFFFAOYSA-N
MW365.48 g/mol
LogP3.79
Rot. Bonds9

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

2-(1,2-benzoxazol-3-yl)-N-[3-[benzyl(propan-2-yl)amino]propyl]acetamide (PubChem CID 22519768) has the molecular formula C22H27N3O2 and a molecular weight of 365.48 g/mol. Its IUPAC name is 2-(1,2-benzoxazol-3-yl)-N-[3-[benzyl(propan-2-yl)amino]propyl]acetamide.

Molecular Properties

Compound Name2-(1,2-benzoxazol-3-yl)-N-[3-[benzyl(propan-2-yl)amino]propyl]acetamide
PubChem CID22519768
Molecular FormulaC22H27N3O2
Molecular Weight365.48 g/mol
Exact Mass365.21
IUPAC Name2-(1,2-benzoxazol-3-yl)-N-[3-[benzyl(propan-2-yl)amino]propyl]acetamide
SMILESCC(C)N(CCCNC(=O)Cc1noc2ccccc12)Cc1ccccc1
InChIInChI=1S/C22H27N3O2/c1-17(2)25(16-18-9-4-3-5-10-18)14-8-13-23-22(26)15-20-19-11-6-7-12-21(19)27-24-20/h3-7,9-12,17H,8,13-16H2,1-2H3,(H,23,26)
InChIKeyHZNCELFQMOXAAR-UHFFFAOYSA-N
XLogP3.79
TPSA58.37 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.48
LogP ≤ 53.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-(1,2-benzoxazol-3-yl)-N-(3-hydroxy-4-methylpentyl)acetamide
CID 111461213
2-(1,2-benzoxazol-3-yl)-N-(3-hydroxypropyl)-N-propan-2-ylacetamide
CID 61039197
2-(1,2-benzoxazol-3-yl)-N-(2-hydroxyethyl)-N-propan-2-ylacetamide
CID 43572973
2-(1,2-benzoxazol-3-yl)-N-propan-2-ylacetamide
CID 15167155
2-(1,2-benzoxazol-3-yl)-N-[(2R)-2-(ethylamino)propyl]acetamide;hydrochloride
CID 120650034
2-(1,2-benzoxazol-3-yl)-N-benzyl-N-(2-hydroxyethyl)acetamide
CID 78855126
N-(4-azidobutyl)-2-(1,2-benzoxazol-3-yl)acetamide
CID 106386734
2-(1,2-benzoxazol-3-yl)-N-[(1S)-1-phenylethyl]acetamide
CID 40647246
2-[benzyl(propan-2-yl)amino]-N-[3-(dimethylamino)propyl]acetamide
CID 108995244
2-(1,2-benzoxazol-3-yl)-N-(pyridin-3-ylmethyl)acetamide
CID 46612175
2-(1,2-benzoxazol-3-yl)-N-(4-morpholin-4-ylbutyl)acetamide
CID 51082256
(2S)-2-[[2-[[2-(1,2-benzoxazol-3-yl)acetyl]amino]acetyl]amino]-4-methylpentanoic acid
CID 120694728

Frequently Asked Questions

What is the IUPAC name of 2-(1,2-benzoxazol-3-yl)-N-[3-[benzyl(propan-2-yl)amino]propyl]acetamide?
The IUPAC name of 2-(1,2-benzoxazol-3-yl)-N-[3-[benzyl(propan-2-yl)amino]propyl]acetamide (CID 22519768) is 2-(1,2-benzoxazol-3-yl)-N-[3-[benzyl(propan-2-yl)amino]propyl]acetamide.
What is the SMILES notation for 2-(1,2-benzoxazol-3-yl)-N-[3-[benzyl(propan-2-yl)amino]propyl]acetamide?
The canonical SMILES for 2-(1,2-benzoxazol-3-yl)-N-[3-[benzyl(propan-2-yl)amino]propyl]acetamide is CC(C)N(CCCNC(=O)Cc1noc2ccccc12)Cc1ccccc1.
What is the InChIKey of 2-(1,2-benzoxazol-3-yl)-N-[3-[benzyl(propan-2-yl)amino]propyl]acetamide?
The InChIKey is HZNCELFQMOXAAR-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H27N3O2/c1-17(2)25(16-18-9-4-3-5-10-18)14-8-13-23-22(26)15-20-19-11-6-7-12-21(19)27-24-20/h3-7,9-12,17H,8,13-16H2,1-2H3,(H,23,26).
What are the key properties of 2-(1,2-benzoxazol-3-yl)-N-[3-[benzyl(propan-2-yl)amino]propyl]acetamide?
2-(1,2-benzoxazol-3-yl)-N-[3-[benzyl(propan-2-yl)amino]propyl]acetamide has a molecular weight of 365.48 g/mol, XLogP of 3.79, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1,2-benzoxazol-3-yl)-N-[3-[benzyl(propan-2-yl)amino]propyl]acetamide is sourced from PubChem (CID 22519768), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).