4-[[2-oxo-2-[2-(oxolan-2-ylmethoxy)anilino]ethyl]amino]-N,N-dipropylbenzamide

C26H35N3O4 — CID 54831866

IUPAC4-[[2-oxo-2-[2-(oxolan-2-ylmethoxy)anilino]ethyl]amino]-N,N-dipropylbenzamide
SMILESCCCN(CCC)C(=O)c1ccc(NCC(=O)Nc2ccccc2OCC2CCCO2)cc1
InChIInChI=1S/C26H35N3O4/c1-3-15-29(16-4-2)26(31)20-11-13-21(14-12-20)27-18-25(30)28-23-9-5-6-10-24(23)33-19-22-8-7-17-32-22/h5-6,9-14,22,27H,3-4,7-8,15-19H2,1-2H3,(H,28,30)
InChIKeyXAWVGQPSXZCIIH-UHFFFAOYSA-N
MW453.58 g/mol
LogP4.56
Rot. Bonds12

About 4-[[2-oxo-2-[2-(oxolan-2-ylmethoxy)anilino]ethyl]amino]-N,N-dipropylbenzamide

4-[[2-oxo-2-[2-(oxolan-2-ylmethoxy)anilino]ethyl]amino]-N,N-dipropylbenzamide (PubChem CID 54831866) has the molecular formula C26H35N3O4 and a molecular weight of 453.58 g/mol. Its IUPAC name is 4-[[2-oxo-2-[2-(oxolan-2-ylmethoxy)anilino]ethyl]amino]-N,N-dipropylbenzamide.

Molecular Properties

Compound Name4-[[2-oxo-2-[2-(oxolan-2-ylmethoxy)anilino]ethyl]amino]-N,N-dipropylbenzamide
PubChem CID54831866
Molecular FormulaC26H35N3O4
Molecular Weight453.58 g/mol
Exact Mass453.26
IUPAC Name4-[[2-oxo-2-[2-(oxolan-2-ylmethoxy)anilino]ethyl]amino]-N,N-dipropylbenzamide
SMILESCCCN(CCC)C(=O)c1ccc(NCC(=O)Nc2ccccc2OCC2CCCO2)cc1
InChIInChI=1S/C26H35N3O4/c1-3-15-29(16-4-2)26(31)20-11-13-21(14-12-20)27-18-25(30)28-23-9-5-6-10-24(23)33-19-22-8-7-17-32-22/h5-6,9-14,22,27H,3-4,7-8,15-19H2,1-2H3,(H,28,30)
InChIKeyXAWVGQPSXZCIIH-UHFFFAOYSA-N
XLogP4.56
TPSA79.90 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds12
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500453.58
LogP ≤ 54.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-(4-methylanilino)-N-[2-(oxolan-2-ylmethoxy)phenyl]acetamide
CID 54814177
2-(4-acetamidoanilino)-N-[2-(oxolan-2-ylmethoxy)phenyl]acetamide
CID 54809220
2-(2-ethoxyanilino)-N-[2-(oxolan-2-ylmethoxy)phenyl]acetamide
CID 54817509
2-[4-(2-methylprop-2-enoxy)anilino]-N-[2-(oxolan-2-ylmethoxy)phenyl]acetamide
CID 54824246
N-cyclohexyl-4-[[2-oxo-2-[2-(oxolan-2-ylmethoxy)anilino]ethyl]amino]benzamide
CID 54844064
2-[4-(morpholine-4-carbonyl)anilino]-N-[2-(oxolan-2-ylmethoxy)phenyl]acetamide
CID 54831936
3-[[2-oxo-2-[2-(oxolan-2-ylmethoxy)anilino]ethyl]amino]-N-propylbenzamide
CID 54838811
N-ethyl-3-[[2-oxo-2-[2-(oxolan-2-ylmethoxy)anilino]ethyl]amino]benzamide
CID 54838016
N-(furan-2-ylmethyl)-4-[[2-oxo-2-[2-(oxolan-2-ylmethoxy)anilino]ethyl]amino]benzamide
CID 54843141
N-(2-ethoxyphenyl)-2-[3-(oxolan-2-ylmethoxy)anilino]acetamide
CID 54828489
2-[4-(oxolan-2-ylmethoxy)anilino]-N-(2-propan-2-yloxyphenyl)acetamide
CID 54821459
2-(3-bromoanilino)-N-[2-(oxolan-2-ylmethoxy)phenyl]acetamide
CID 54840337

Frequently Asked Questions

What is the IUPAC name of 4-[[2-oxo-2-[2-(oxolan-2-ylmethoxy)anilino]ethyl]amino]-N,N-dipropylbenzamide?
The IUPAC name of 4-[[2-oxo-2-[2-(oxolan-2-ylmethoxy)anilino]ethyl]amino]-N,N-dipropylbenzamide (CID 54831866) is 4-[[2-oxo-2-[2-(oxolan-2-ylmethoxy)anilino]ethyl]amino]-N,N-dipropylbenzamide.
What is the SMILES notation for 4-[[2-oxo-2-[2-(oxolan-2-ylmethoxy)anilino]ethyl]amino]-N,N-dipropylbenzamide?
The canonical SMILES for 4-[[2-oxo-2-[2-(oxolan-2-ylmethoxy)anilino]ethyl]amino]-N,N-dipropylbenzamide is CCCN(CCC)C(=O)c1ccc(NCC(=O)Nc2ccccc2OCC2CCCO2)cc1.
What is the InChIKey of 4-[[2-oxo-2-[2-(oxolan-2-ylmethoxy)anilino]ethyl]amino]-N,N-dipropylbenzamide?
The InChIKey is XAWVGQPSXZCIIH-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H35N3O4/c1-3-15-29(16-4-2)26(31)20-11-13-21(14-12-20)27-18-25(30)28-23-9-5-6-10-24(23)33-19-22-8-7-17-32-22/h5-6,9-14,22,27H,3-4,7-8,15-19H2,1-2H3,(H,28,30).
What are the key properties of 4-[[2-oxo-2-[2-(oxolan-2-ylmethoxy)anilino]ethyl]amino]-N,N-dipropylbenzamide?
4-[[2-oxo-2-[2-(oxolan-2-ylmethoxy)anilino]ethyl]amino]-N,N-dipropylbenzamide has a molecular weight of 453.58 g/mol, XLogP of 4.56, 12 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[2-oxo-2-[2-(oxolan-2-ylmethoxy)anilino]ethyl]amino]-N,N-dipropylbenzamide is sourced from PubChem (CID 54831866), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).