N-tert-butyl-3-[[2-[3-(oxolan-2-ylmethoxy)anilino]acetyl]amino]benzamide

C24H31N3O4 — CID 54828594

IUPACN-tert-butyl-3-[[2-[3-(oxolan-2-ylmethoxy)anilino]acetyl]amino]benzamide
SMILESCC(C)(C)NC(=O)c1cccc(NC(=O)CNc2cccc(OCC3CCCO3)c2)c1
InChIInChI=1S/C24H31N3O4/c1-24(2,3)27-23(29)17-7-4-9-19(13-17)26-22(28)15-25-18-8-5-10-20(14-18)31-16-21-11-6-12-30-21/h4-5,7-10,13-14,21,25H,6,11-12,15-16H2,1-3H3,(H,26,28)(H,27,29)
InChIKeyWLGDIPBAPGNLQL-UHFFFAOYSA-N
MW425.53 g/mol
LogP3.82
Rot. Bonds8

About N-tert-butyl-3-[[2-[3-(oxolan-2-ylmethoxy)anilino]acetyl]amino]benzamide

N-tert-butyl-3-[[2-[3-(oxolan-2-ylmethoxy)anilino]acetyl]amino]benzamide (PubChem CID 54828594) has the molecular formula C24H31N3O4 and a molecular weight of 425.53 g/mol. Its IUPAC name is N-tert-butyl-3-[[2-[3-(oxolan-2-ylmethoxy)anilino]acetyl]amino]benzamide.

Molecular Properties

Compound NameN-tert-butyl-3-[[2-[3-(oxolan-2-ylmethoxy)anilino]acetyl]amino]benzamide
PubChem CID54828594
Molecular FormulaC24H31N3O4
Molecular Weight425.53 g/mol
Exact Mass425.23
IUPAC NameN-tert-butyl-3-[[2-[3-(oxolan-2-ylmethoxy)anilino]acetyl]amino]benzamide
SMILESCC(C)(C)NC(=O)c1cccc(NC(=O)CNc2cccc(OCC3CCCO3)c2)c1
InChIInChI=1S/C24H31N3O4/c1-24(2,3)27-23(29)17-7-4-9-19(13-17)26-22(28)15-25-18-8-5-10-20(14-18)31-16-21-11-6-12-30-21/h4-5,7-10,13-14,21,25H,6,11-12,15-16H2,1-3H3,(H,26,28)(H,27,29)
InChIKeyWLGDIPBAPGNLQL-UHFFFAOYSA-N
XLogP3.82
TPSA88.69 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds8
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

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Related Compounds

N-(3-methoxypropyl)-3-[[2-oxo-2-[3-(oxolan-2-ylmethoxy)anilino]ethyl]amino]benzamide
CID 54842734
N-butan-2-yl-3-[[2-oxo-2-[3-(oxolan-2-ylmethoxy)anilino]ethyl]amino]benzamide
CID 54835219
N-(2,6-dimethylphenyl)-2-[3-(oxolan-2-ylmethoxy)anilino]acetamide
CID 54828585
N-[3-(2-methylprop-2-enoxy)phenyl]-2-[3-(oxolan-2-ylmethoxy)anilino]acetamide
CID 54828653
N-naphthalen-2-yl-2-[3-(oxolan-2-ylmethoxy)anilino]acetamide
CID 54828752
2-[3-(oxolan-2-ylmethoxy)anilino]-N-(3-prop-2-enoxyphenyl)acetamide
CID 54828749
N-[3-(azepane-1-carbonyl)phenyl]-2-[3-(oxolan-2-ylmethoxy)anilino]acetamide
CID 54828466
N-[3-(3-methylbutoxy)phenyl]-2-[3-(oxolan-2-ylmethoxy)anilino]acetamide
CID 54828556
N-(3-heptoxyphenyl)-2-[3-(oxolan-2-ylmethoxy)anilino]acetamide
CID 54828366
2-(4-bromoanilino)-N-[3-(oxolan-2-ylmethoxy)phenyl]acetamide
CID 54810968
N-(4-chlorophenyl)-2-[3-(oxolan-2-ylmethoxy)anilino]acetamide
CID 54829242
2-(4-chloroanilino)-N-[3-(oxolan-2-ylmethoxy)phenyl]acetamide
CID 54810381

Frequently Asked Questions

What is the IUPAC name of N-tert-butyl-3-[[2-[3-(oxolan-2-ylmethoxy)anilino]acetyl]amino]benzamide?
The IUPAC name of N-tert-butyl-3-[[2-[3-(oxolan-2-ylmethoxy)anilino]acetyl]amino]benzamide (CID 54828594) is N-tert-butyl-3-[[2-[3-(oxolan-2-ylmethoxy)anilino]acetyl]amino]benzamide.
What is the SMILES notation for N-tert-butyl-3-[[2-[3-(oxolan-2-ylmethoxy)anilino]acetyl]amino]benzamide?
The canonical SMILES for N-tert-butyl-3-[[2-[3-(oxolan-2-ylmethoxy)anilino]acetyl]amino]benzamide is CC(C)(C)NC(=O)c1cccc(NC(=O)CNc2cccc(OCC3CCCO3)c2)c1.
What is the InChIKey of N-tert-butyl-3-[[2-[3-(oxolan-2-ylmethoxy)anilino]acetyl]amino]benzamide?
The InChIKey is WLGDIPBAPGNLQL-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H31N3O4/c1-24(2,3)27-23(29)17-7-4-9-19(13-17)26-22(28)15-25-18-8-5-10-20(14-18)31-16-21-11-6-12-30-21/h4-5,7-10,13-14,21,25H,6,11-12,15-16H2,1-3H3,(H,26,28)(H,27,29).
What are the key properties of N-tert-butyl-3-[[2-[3-(oxolan-2-ylmethoxy)anilino]acetyl]amino]benzamide?
N-tert-butyl-3-[[2-[3-(oxolan-2-ylmethoxy)anilino]acetyl]amino]benzamide has a molecular weight of 425.53 g/mol, XLogP of 3.82, 8 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-tert-butyl-3-[[2-[3-(oxolan-2-ylmethoxy)anilino]acetyl]amino]benzamide is sourced from PubChem (CID 54828594), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).