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

C26H33N3O4 — CID 54844064

IUPACN-cyclohexyl-4-[[2-oxo-2-[2-(oxolan-2-ylmethoxy)anilino]ethyl]amino]benzamide
SMILESO=C(CNc1ccc(C(=O)NC2CCCCC2)cc1)Nc1ccccc1OCC1CCCO1
InChIInChI=1S/C26H33N3O4/c30-25(29-23-10-4-5-11-24(23)33-18-22-9-6-16-32-22)17-27-20-14-12-19(13-15-20)26(31)28-21-7-2-1-3-8-21/h4-5,10-15,21-22,27H,1-3,6-9,16-18H2,(H,28,31)(H,29,30)
InChIKeyYCRIYQTUIXLLCJ-UHFFFAOYSA-N
MW451.57 g/mol
LogP4.36
Rot. Bonds9

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

N-cyclohexyl-4-[[2-oxo-2-[2-(oxolan-2-ylmethoxy)anilino]ethyl]amino]benzamide (PubChem CID 54844064) has the molecular formula C26H33N3O4 and a molecular weight of 451.57 g/mol. Its IUPAC name is N-cyclohexyl-4-[[2-oxo-2-[2-(oxolan-2-ylmethoxy)anilino]ethyl]amino]benzamide.

Molecular Properties

Compound NameN-cyclohexyl-4-[[2-oxo-2-[2-(oxolan-2-ylmethoxy)anilino]ethyl]amino]benzamide
PubChem CID54844064
Molecular FormulaC26H33N3O4
Molecular Weight451.57 g/mol
Exact Mass451.25
IUPAC NameN-cyclohexyl-4-[[2-oxo-2-[2-(oxolan-2-ylmethoxy)anilino]ethyl]amino]benzamide
SMILESO=C(CNc1ccc(C(=O)NC2CCCCC2)cc1)Nc1ccccc1OCC1CCCO1
InChIInChI=1S/C26H33N3O4/c30-25(29-23-10-4-5-11-24(23)33-18-22-9-6-16-32-22)17-27-20-14-12-19(13-15-20)26(31)28-21-7-2-1-3-8-21/h4-5,10-15,21-22,27H,1-3,6-9,16-18H2,(H,28,31)(H,29,30)
InChIKeyYCRIYQTUIXLLCJ-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-[2-(oxolan-2-ylmethoxy)anilino]acetyl]amino]benzamide
CID 54829639
2-(4-methylanilino)-N-[2-(oxolan-2-ylmethoxy)phenyl]acetamide
CID 54814177
2-(4-acetamidoanilino)-N-[2-(oxolan-2-ylmethoxy)phenyl]acetamide
CID 54809220
N-(furan-2-ylmethyl)-4-[[2-oxo-2-[2-(oxolan-2-ylmethoxy)anilino]ethyl]amino]benzamide
CID 54843141
2-[4-(morpholine-4-carbonyl)anilino]-N-[2-(oxolan-2-ylmethoxy)phenyl]acetamide
CID 54831936
4-[[2-[2-(oxolan-2-ylmethoxy)anilino]acetyl]amino]-N-(oxolan-2-ylmethyl)benzamide
CID 54829444
4-[[2-oxo-2-[2-(oxolan-2-ylmethoxy)anilino]ethyl]amino]-N,N-dipropylbenzamide
CID 54831866
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
2-(3-bromoanilino)-N-[2-(oxolan-2-ylmethoxy)phenyl]acetamide
CID 54840337
N-(4-iodophenyl)-2-[2-(oxolan-2-ylmethoxy)anilino]acetamide
CID 54829760
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-oxo-2-[2-(oxolan-2-ylmethoxy)anilino]ethyl]amino]benzamide?
The IUPAC name of N-cyclohexyl-4-[[2-oxo-2-[2-(oxolan-2-ylmethoxy)anilino]ethyl]amino]benzamide (CID 54844064) is N-cyclohexyl-4-[[2-oxo-2-[2-(oxolan-2-ylmethoxy)anilino]ethyl]amino]benzamide.
What is the SMILES notation for N-cyclohexyl-4-[[2-oxo-2-[2-(oxolan-2-ylmethoxy)anilino]ethyl]amino]benzamide?
The canonical SMILES for N-cyclohexyl-4-[[2-oxo-2-[2-(oxolan-2-ylmethoxy)anilino]ethyl]amino]benzamide is O=C(CNc1ccc(C(=O)NC2CCCCC2)cc1)Nc1ccccc1OCC1CCCO1.
What is the InChIKey of N-cyclohexyl-4-[[2-oxo-2-[2-(oxolan-2-ylmethoxy)anilino]ethyl]amino]benzamide?
The InChIKey is YCRIYQTUIXLLCJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H33N3O4/c30-25(29-23-10-4-5-11-24(23)33-18-22-9-6-16-32-22)17-27-20-14-12-19(13-15-20)26(31)28-21-7-2-1-3-8-21/h4-5,10-15,21-22,27H,1-3,6-9,16-18H2,(H,28,31)(H,29,30).
What are the key properties of N-cyclohexyl-4-[[2-oxo-2-[2-(oxolan-2-ylmethoxy)anilino]ethyl]amino]benzamide?
N-cyclohexyl-4-[[2-oxo-2-[2-(oxolan-2-ylmethoxy)anilino]ethyl]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-oxo-2-[2-(oxolan-2-ylmethoxy)anilino]ethyl]amino]benzamide is sourced from PubChem (CID 54844064), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).