2-methoxy-N-[3-oxo-3-[(2-propan-2-yl-1,3-benzoxazol-5-yl)amino]propyl]benzamide

C21H23N3O4 — CID 46401809

IUPAC2-methoxy-N-[3-oxo-3-[(2-propan-2-yl-1,3-benzoxazol-5-yl)amino]propyl]benzamide
SMILESCOc1ccccc1C(=O)NCCC(=O)Nc1ccc2oc(C(C)C)nc2c1
InChIInChI=1S/C21H23N3O4/c1-13(2)21-24-16-12-14(8-9-18(16)28-21)23-19(25)10-11-22-20(26)15-6-4-5-7-17(15)27-3/h4-9,12-13H,10-11H2,1-3H3,(H,22,26)(H,23,25)
InChIKeyAYNGQAHGENLLEX-UHFFFAOYSA-N
MW381.43 g/mol
LogP3.72
Rot. Bonds7

About 2-methoxy-N-[3-oxo-3-[(2-propan-2-yl-1,3-benzoxazol-5-yl)amino]propyl]benzamide

2-methoxy-N-[3-oxo-3-[(2-propan-2-yl-1,3-benzoxazol-5-yl)amino]propyl]benzamide (PubChem CID 46401809) has the molecular formula C21H23N3O4 and a molecular weight of 381.43 g/mol. Its IUPAC name is 2-methoxy-N-[3-oxo-3-[(2-propan-2-yl-1,3-benzoxazol-5-yl)amino]propyl]benzamide.

Molecular Properties

Compound Name2-methoxy-N-[3-oxo-3-[(2-propan-2-yl-1,3-benzoxazol-5-yl)amino]propyl]benzamide
PubChem CID46401809
Molecular FormulaC21H23N3O4
Molecular Weight381.43 g/mol
Exact Mass381.17
IUPAC Name2-methoxy-N-[3-oxo-3-[(2-propan-2-yl-1,3-benzoxazol-5-yl)amino]propyl]benzamide
SMILESCOc1ccccc1C(=O)NCCC(=O)Nc1ccc2oc(C(C)C)nc2c1
InChIInChI=1S/C21H23N3O4/c1-13(2)21-24-16-12-14(8-9-18(16)28-21)23-19(25)10-11-22-20(26)15-6-4-5-7-17(15)27-3/h4-9,12-13H,10-11H2,1-3H3,(H,22,26)(H,23,25)
InChIKeyAYNGQAHGENLLEX-UHFFFAOYSA-N
XLogP3.72
TPSA93.46 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.43
LogP ≤ 53.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 2-methoxy-N-[3-oxo-3-[(2-propan-2-yl-1,3-benzoxazol-5-yl)amino]propyl]benzamide with MolForge

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Related Compounds

2-ethoxy-N-(2-propan-2-yl-1,3-benzoxazol-5-yl)benzamide
CID 46401841
2-methyl-N-[2-oxo-2-[(2-propan-2-yl-1,3-benzoxazol-5-yl)amino]ethyl]benzamide
CID 46416362
5-(2-methoxyphenyl)-N-(2-propan-2-yl-1,3-benzoxazol-5-yl)-1,2-oxazole-3-carboxamide
CID 47028094
2-methoxy-N-[2-(4-propan-2-ylphenyl)-1,3-benzoxazol-5-yl]benzamide
CID 17127516
2-(propan-2-ylamino)-N-(2-propan-2-yl-1,3-benzoxazol-5-yl)acetamide
CID 60843076
[2-(naphthalen-2-ylamino)-2-oxoethyl] 3-[(2-methoxybenzoyl)amino]propanoate
CID 7827687
3,5-dimethoxy-N-(2-propan-2-yl-1,3-benzoxazol-5-yl)benzamide
CID 46424516
methyl 4-[(2-propan-2-yl-1,3-benzoxazole-5-carbonyl)amino]butanoate
CID 26317738
2-methoxy-N-[3-oxo-3-(4-sulfamoylanilino)propyl]benzamide
CID 4843806
2-methoxy-N-[[2-(4-propan-2-ylphenyl)-1,3-benzoxazol-5-yl]carbamothioyl]benzamide
CID 17127670
N-[3-(2,5-dimethylanilino)-3-oxopropyl]-2-methoxybenzamide
CID 26500169
N-[3-[3-(diethylaminomethyl)anilino]-3-oxopropyl]-2-methoxybenzamide
CID 46449017

Frequently Asked Questions

What is the IUPAC name of 2-methoxy-N-[3-oxo-3-[(2-propan-2-yl-1,3-benzoxazol-5-yl)amino]propyl]benzamide?
The IUPAC name of 2-methoxy-N-[3-oxo-3-[(2-propan-2-yl-1,3-benzoxazol-5-yl)amino]propyl]benzamide (CID 46401809) is 2-methoxy-N-[3-oxo-3-[(2-propan-2-yl-1,3-benzoxazol-5-yl)amino]propyl]benzamide.
What is the SMILES notation for 2-methoxy-N-[3-oxo-3-[(2-propan-2-yl-1,3-benzoxazol-5-yl)amino]propyl]benzamide?
The canonical SMILES for 2-methoxy-N-[3-oxo-3-[(2-propan-2-yl-1,3-benzoxazol-5-yl)amino]propyl]benzamide is COc1ccccc1C(=O)NCCC(=O)Nc1ccc2oc(C(C)C)nc2c1.
What is the InChIKey of 2-methoxy-N-[3-oxo-3-[(2-propan-2-yl-1,3-benzoxazol-5-yl)amino]propyl]benzamide?
The InChIKey is AYNGQAHGENLLEX-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23N3O4/c1-13(2)21-24-16-12-14(8-9-18(16)28-21)23-19(25)10-11-22-20(26)15-6-4-5-7-17(15)27-3/h4-9,12-13H,10-11H2,1-3H3,(H,22,26)(H,23,25).
What are the key properties of 2-methoxy-N-[3-oxo-3-[(2-propan-2-yl-1,3-benzoxazol-5-yl)amino]propyl]benzamide?
2-methoxy-N-[3-oxo-3-[(2-propan-2-yl-1,3-benzoxazol-5-yl)amino]propyl]benzamide has a molecular weight of 381.43 g/mol, XLogP of 3.72, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-N-[3-oxo-3-[(2-propan-2-yl-1,3-benzoxazol-5-yl)amino]propyl]benzamide is sourced from PubChem (CID 46401809), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).