N-cyclohexyl-2-[[(2R)-2-(3-methoxyphenoxy)butanoyl]amino]benzamide

C24H30N2O4 — CID 94012414

IUPACN-cyclohexyl-2-[[(2R)-2-(3-methoxyphenoxy)butanoyl]amino]benzamide
SMILESCC[C@@H](Oc1cccc(OC)c1)C(=O)Nc1ccccc1C(=O)NC1CCCCC1
InChIInChI=1S/C24H30N2O4/c1-3-22(30-19-13-9-12-18(16-19)29-2)24(28)26-21-15-8-7-14-20(21)23(27)25-17-10-5-4-6-11-17/h7-9,12-17,22H,3-6,10-11H2,1-2H3,(H,25,27)(H,26,28)/t22-/m1/s1
InChIKeyJNCZLOCERXVOAL-JOCHJYFZSA-N
MW410.51 g/mol
LogP4.55
Rot. Bonds8

About N-cyclohexyl-2-[[(2R)-2-(3-methoxyphenoxy)butanoyl]amino]benzamide

N-cyclohexyl-2-[[(2R)-2-(3-methoxyphenoxy)butanoyl]amino]benzamide (PubChem CID 94012414) has the molecular formula C24H30N2O4 and a molecular weight of 410.51 g/mol. Its IUPAC name is N-cyclohexyl-2-[[(2R)-2-(3-methoxyphenoxy)butanoyl]amino]benzamide.

Molecular Properties

Compound NameN-cyclohexyl-2-[[(2R)-2-(3-methoxyphenoxy)butanoyl]amino]benzamide
PubChem CID94012414
Molecular FormulaC24H30N2O4
Molecular Weight410.51 g/mol
Exact Mass410.22
IUPAC NameN-cyclohexyl-2-[[(2R)-2-(3-methoxyphenoxy)butanoyl]amino]benzamide
SMILESCC[C@@H](Oc1cccc(OC)c1)C(=O)Nc1ccccc1C(=O)NC1CCCCC1
InChIInChI=1S/C24H30N2O4/c1-3-22(30-19-13-9-12-18(16-19)29-2)24(28)26-21-15-8-7-14-20(21)23(27)25-17-10-5-4-6-11-17/h7-9,12-17,22H,3-6,10-11H2,1-2H3,(H,25,27)(H,26,28)/t22-/m1/s1
InChIKeyJNCZLOCERXVOAL-JOCHJYFZSA-N
XLogP4.55
TPSA76.66 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500410.51
LogP ≤ 54.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-cyclohexyl-2-[2-(4-methoxyphenoxy)butanoylamino]benzamide
CID 21368361
N-cyclohexyl-2-[2-(4-fluorophenoxy)butanoylamino]benzamide
CID 43886444
N-cyclooctyl-2-(3-methoxyphenoxy)butanamide
CID 46769347
2-[2-(4-tert-butylphenoxy)butanoylamino]-N-cyclohexylbenzamide
CID 132670970
N-tert-butyl-2-[[(2S)-2-(3-methoxyphenoxy)butanoyl]amino]benzamide
CID 92680298
2-(3-methoxyphenoxy)-N-[2-(piperidine-1-carbonyl)phenyl]butanamide
CID 46764443
(2S)-N-[2-(azepane-1-carbonyl)phenyl]-2-(3-methoxyphenoxy)butanamide
CID 28632970
2-[2-(3-methoxyphenoxy)butanoylamino]-N-(2-methylpropyl)benzamide
CID 43909267
ethyl 2-[[(2S)-2-(3-methoxyphenoxy)butanoyl]amino]benzoate
CID 30391174
(2R)-2-(3-methoxyphenoxy)-N-(2-methoxyphenyl)butanamide
CID 94027055
2-(3-methoxyphenoxy)-N-[2-(morpholine-4-carbonyl)phenyl]butanamide
CID 53284266
(2R)-2-(3-methoxyphenoxy)-N-[2-(morpholine-4-carbonyl)phenyl]butanamide
CID 92672077

Frequently Asked Questions

What is the IUPAC name of N-cyclohexyl-2-[[(2R)-2-(3-methoxyphenoxy)butanoyl]amino]benzamide?
The IUPAC name of N-cyclohexyl-2-[[(2R)-2-(3-methoxyphenoxy)butanoyl]amino]benzamide (CID 94012414) is N-cyclohexyl-2-[[(2R)-2-(3-methoxyphenoxy)butanoyl]amino]benzamide.
What is the SMILES notation for N-cyclohexyl-2-[[(2R)-2-(3-methoxyphenoxy)butanoyl]amino]benzamide?
The canonical SMILES for N-cyclohexyl-2-[[(2R)-2-(3-methoxyphenoxy)butanoyl]amino]benzamide is CC[C@@H](Oc1cccc(OC)c1)C(=O)Nc1ccccc1C(=O)NC1CCCCC1.
What is the InChIKey of N-cyclohexyl-2-[[(2R)-2-(3-methoxyphenoxy)butanoyl]amino]benzamide?
The InChIKey is JNCZLOCERXVOAL-JOCHJYFZSA-N. The full InChI is InChI=1S/C24H30N2O4/c1-3-22(30-19-13-9-12-18(16-19)29-2)24(28)26-21-15-8-7-14-20(21)23(27)25-17-10-5-4-6-11-17/h7-9,12-17,22H,3-6,10-11H2,1-2H3,(H,25,27)(H,26,28)/t22-/m1/s1.
What are the key properties of N-cyclohexyl-2-[[(2R)-2-(3-methoxyphenoxy)butanoyl]amino]benzamide?
N-cyclohexyl-2-[[(2R)-2-(3-methoxyphenoxy)butanoyl]amino]benzamide has a molecular weight of 410.51 g/mol, XLogP of 4.55, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclohexyl-2-[[(2R)-2-(3-methoxyphenoxy)butanoyl]amino]benzamide is sourced from PubChem (CID 94012414), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).