N-butan-2-yl-3-[[2-oxo-2-[3-(oxolan-2-ylmethoxy)anilino]ethyl]amino]benzamide

C24H31N3O4 — CID 54835219

IUPACN-butan-2-yl-3-[[2-oxo-2-[3-(oxolan-2-ylmethoxy)anilino]ethyl]amino]benzamide
SMILESCCC(C)NC(=O)c1cccc(NCC(=O)Nc2cccc(OCC3CCCO3)c2)c1
InChIInChI=1S/C24H31N3O4/c1-3-17(2)26-24(29)18-7-4-8-19(13-18)25-15-23(28)27-20-9-5-10-21(14-20)31-16-22-11-6-12-30-22/h4-5,7-10,13-14,17,22,25H,3,6,11-12,15-16H2,1-2H3,(H,26,29)(H,27,28)
InChIKeyXTFMQMYTRHVKBD-UHFFFAOYSA-N
MW425.53 g/mol
LogP3.82
Rot. Bonds10

About N-butan-2-yl-3-[[2-oxo-2-[3-(oxolan-2-ylmethoxy)anilino]ethyl]amino]benzamide

N-butan-2-yl-3-[[2-oxo-2-[3-(oxolan-2-ylmethoxy)anilino]ethyl]amino]benzamide (PubChem CID 54835219) has the molecular formula C24H31N3O4 and a molecular weight of 425.53 g/mol. Its IUPAC name is N-butan-2-yl-3-[[2-oxo-2-[3-(oxolan-2-ylmethoxy)anilino]ethyl]amino]benzamide.

Molecular Properties

Compound NameN-butan-2-yl-3-[[2-oxo-2-[3-(oxolan-2-ylmethoxy)anilino]ethyl]amino]benzamide
PubChem CID54835219
Molecular FormulaC24H31N3O4
Molecular Weight425.53 g/mol
Exact Mass425.23
IUPAC NameN-butan-2-yl-3-[[2-oxo-2-[3-(oxolan-2-ylmethoxy)anilino]ethyl]amino]benzamide
SMILESCCC(C)NC(=O)c1cccc(NCC(=O)Nc2cccc(OCC3CCCO3)c2)c1
InChIInChI=1S/C24H31N3O4/c1-3-17(2)26-24(29)18-7-4-8-19(13-18)25-15-23(28)27-20-9-5-10-21(14-20)31-16-22-11-6-12-30-22/h4-5,7-10,13-14,17,22,25H,3,6,11-12,15-16H2,1-2H3,(H,26,29)(H,27,28)
InChIKeyXTFMQMYTRHVKBD-UHFFFAOYSA-N
XLogP3.82
TPSA88.69 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500425.53
LogP ≤ 53.82
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Analyze N-butan-2-yl-3-[[2-oxo-2-[3-(oxolan-2-ylmethoxy)anilino]ethyl]amino]benzamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-butan-2-yl-4-[[2-oxo-2-[3-(oxolan-2-ylmethoxy)anilino]ethyl]amino]benzamide
CID 54834406
N-tert-butyl-3-[[2-[3-(oxolan-2-ylmethoxy)anilino]acetyl]amino]benzamide
CID 54828594
N-[3-(3-methylbutoxy)phenyl]-2-[3-(oxolan-2-ylmethoxy)anilino]acetamide
CID 54828556
N-(3-methoxypropyl)-3-[[2-oxo-2-[3-(oxolan-2-ylmethoxy)anilino]ethyl]amino]benzamide
CID 54842734
3-[[2-[2-(oxolan-2-ylmethoxy)anilino]acetyl]amino]-N-propan-2-ylbenzamide
CID 54829734
N-[3-(azepane-1-carbonyl)phenyl]-2-[3-(oxolan-2-ylmethoxy)anilino]acetamide
CID 54828466
3-methyl-N-[4-[[2-oxo-2-[3-(oxolan-2-ylmethoxy)anilino]ethyl]amino]phenyl]butanamide
CID 54831706
N-(3-heptoxyphenyl)-2-[3-(oxolan-2-ylmethoxy)anilino]acetamide
CID 54828366
N-(2,6-dimethylphenyl)-2-[3-(oxolan-2-ylmethoxy)anilino]acetamide
CID 54828585
2-[3-(2-methylpropoxy)anilino]-N-[4-(oxolan-2-ylmethoxy)phenyl]acetamide
CID 54823634
N-ethyl-4-[[2-oxo-2-[3-(oxolan-2-ylmethoxy)anilino]ethyl]amino]benzamide
CID 54839143
N-[3-(2-methylprop-2-enoxy)phenyl]-2-[3-(oxolan-2-ylmethoxy)anilino]acetamide
CID 54828653

Frequently Asked Questions

What is the IUPAC name of N-butan-2-yl-3-[[2-oxo-2-[3-(oxolan-2-ylmethoxy)anilino]ethyl]amino]benzamide?
The IUPAC name of N-butan-2-yl-3-[[2-oxo-2-[3-(oxolan-2-ylmethoxy)anilino]ethyl]amino]benzamide (CID 54835219) is N-butan-2-yl-3-[[2-oxo-2-[3-(oxolan-2-ylmethoxy)anilino]ethyl]amino]benzamide.
What is the SMILES notation for N-butan-2-yl-3-[[2-oxo-2-[3-(oxolan-2-ylmethoxy)anilino]ethyl]amino]benzamide?
The canonical SMILES for N-butan-2-yl-3-[[2-oxo-2-[3-(oxolan-2-ylmethoxy)anilino]ethyl]amino]benzamide is CCC(C)NC(=O)c1cccc(NCC(=O)Nc2cccc(OCC3CCCO3)c2)c1.
What is the InChIKey of N-butan-2-yl-3-[[2-oxo-2-[3-(oxolan-2-ylmethoxy)anilino]ethyl]amino]benzamide?
The InChIKey is XTFMQMYTRHVKBD-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H31N3O4/c1-3-17(2)26-24(29)18-7-4-8-19(13-18)25-15-23(28)27-20-9-5-10-21(14-20)31-16-22-11-6-12-30-22/h4-5,7-10,13-14,17,22,25H,3,6,11-12,15-16H2,1-2H3,(H,26,29)(H,27,28).
What are the key properties of N-butan-2-yl-3-[[2-oxo-2-[3-(oxolan-2-ylmethoxy)anilino]ethyl]amino]benzamide?
N-butan-2-yl-3-[[2-oxo-2-[3-(oxolan-2-ylmethoxy)anilino]ethyl]amino]benzamide has a molecular weight of 425.53 g/mol, XLogP of 3.82, 10 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-butan-2-yl-3-[[2-oxo-2-[3-(oxolan-2-ylmethoxy)anilino]ethyl]amino]benzamide is sourced from PubChem (CID 54835219), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).