N-cyclohexyl-4-[[2-[2-(oxolan-2-ylmethoxy)anilino]acetyl]amino]benzamide

C26H33N3O4 — CID 54829639

IUPACN-cyclohexyl-4-[[2-[2-(oxolan-2-ylmethoxy)anilino]acetyl]amino]benzamide
SMILESO=C(CNc1ccccc1OCC1CCCO1)Nc1ccc(C(=O)NC2CCCCC2)cc1
InChIInChI=1S/C26H33N3O4/c30-25(17-27-23-10-4-5-11-24(23)33-18-22-9-6-16-32-22)28-21-14-12-19(13-15-21)26(31)29-20-7-2-1-3-8-20/h4-5,10-15,20,22,27H,1-3,6-9,16-18H2,(H,28,30)(H,29,31)
InChIKeyNIFJXKVZLKDWHY-UHFFFAOYSA-N
MW451.57 g/mol
LogP4.36
Rot. Bonds9

About N-cyclohexyl-4-[[2-[2-(oxolan-2-ylmethoxy)anilino]acetyl]amino]benzamide

N-cyclohexyl-4-[[2-[2-(oxolan-2-ylmethoxy)anilino]acetyl]amino]benzamide (PubChem CID 54829639) has the molecular formula C26H33N3O4 and a molecular weight of 451.57 g/mol. Its IUPAC name is N-cyclohexyl-4-[[2-[2-(oxolan-2-ylmethoxy)anilino]acetyl]amino]benzamide.

Molecular Properties

Compound NameN-cyclohexyl-4-[[2-[2-(oxolan-2-ylmethoxy)anilino]acetyl]amino]benzamide
PubChem CID54829639
Molecular FormulaC26H33N3O4
Molecular Weight451.57 g/mol
Exact Mass451.25
IUPAC NameN-cyclohexyl-4-[[2-[2-(oxolan-2-ylmethoxy)anilino]acetyl]amino]benzamide
SMILESO=C(CNc1ccccc1OCC1CCCO1)Nc1ccc(C(=O)NC2CCCCC2)cc1
InChIInChI=1S/C26H33N3O4/c30-25(17-27-23-10-4-5-11-24(23)33-18-22-9-6-16-32-22)28-21-14-12-19(13-15-21)26(31)29-20-7-2-1-3-8-20/h4-5,10-15,20,22,27H,1-3,6-9,16-18H2,(H,28,30)(H,29,31)
InChIKeyNIFJXKVZLKDWHY-UHFFFAOYSA-N
XLogP4.36
TPSA88.69 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500451.57
LogP ≤ 54.36
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

N-cyclohexyl-4-[[2-oxo-2-[2-(oxolan-2-ylmethoxy)anilino]ethyl]amino]benzamide
CID 54844064
4-[[2-[2-(oxolan-2-ylmethoxy)anilino]acetyl]amino]-N-(oxolan-2-ylmethyl)benzamide
CID 54829444
N-(4-iodophenyl)-2-[2-(oxolan-2-ylmethoxy)anilino]acetamide
CID 54829760
2-(4-acetamidoanilino)-N-[2-(oxolan-2-ylmethoxy)phenyl]acetamide
CID 54809220
2-(4-methylanilino)-N-[2-(oxolan-2-ylmethoxy)phenyl]acetamide
CID 54814177
2-(2-ethoxyanilino)-N-[2-(oxolan-2-ylmethoxy)phenyl]acetamide
CID 54817509
3-[[2-[2-(oxolan-2-ylmethoxy)anilino]acetyl]amino]benzamide
CID 54829835
4-[[2-(2-bromoanilino)acetyl]amino]-N-cyclohexylbenzamide
CID 54816658
N-naphthalen-1-yl-2-[2-(oxolan-2-ylmethoxy)anilino]acetamide
CID 54829466
N-cyclohexyl-4-[[2-(2,3-dimethylanilino)acetyl]amino]benzamide
CID 54816101
3-[[2-[2-(oxolan-2-ylmethoxy)anilino]acetyl]amino]-N-propan-2-ylbenzamide
CID 54829734
N-[2-(oxolan-2-ylmethoxy)phenyl]-2-(2-prop-2-enoxyanilino)acetamide
CID 54824189

Frequently Asked Questions

What is the IUPAC name of N-cyclohexyl-4-[[2-[2-(oxolan-2-ylmethoxy)anilino]acetyl]amino]benzamide?
The IUPAC name of N-cyclohexyl-4-[[2-[2-(oxolan-2-ylmethoxy)anilino]acetyl]amino]benzamide (CID 54829639) is N-cyclohexyl-4-[[2-[2-(oxolan-2-ylmethoxy)anilino]acetyl]amino]benzamide.
What is the SMILES notation for N-cyclohexyl-4-[[2-[2-(oxolan-2-ylmethoxy)anilino]acetyl]amino]benzamide?
The canonical SMILES for N-cyclohexyl-4-[[2-[2-(oxolan-2-ylmethoxy)anilino]acetyl]amino]benzamide is O=C(CNc1ccccc1OCC1CCCO1)Nc1ccc(C(=O)NC2CCCCC2)cc1.
What is the InChIKey of N-cyclohexyl-4-[[2-[2-(oxolan-2-ylmethoxy)anilino]acetyl]amino]benzamide?
The InChIKey is NIFJXKVZLKDWHY-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H33N3O4/c30-25(17-27-23-10-4-5-11-24(23)33-18-22-9-6-16-32-22)28-21-14-12-19(13-15-21)26(31)29-20-7-2-1-3-8-20/h4-5,10-15,20,22,27H,1-3,6-9,16-18H2,(H,28,30)(H,29,31).
What are the key properties of N-cyclohexyl-4-[[2-[2-(oxolan-2-ylmethoxy)anilino]acetyl]amino]benzamide?
N-cyclohexyl-4-[[2-[2-(oxolan-2-ylmethoxy)anilino]acetyl]amino]benzamide has a molecular weight of 451.57 g/mol, XLogP of 4.36, 9 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclohexyl-4-[[2-[2-(oxolan-2-ylmethoxy)anilino]acetyl]amino]benzamide is sourced from PubChem (CID 54829639), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).