N-cyclohexyl-3-[[2-[3-(2-methoxyethoxy)anilino]-2-oxoethyl]amino]benzamide

C24H31N3O4 — CID 54831160

IUPACN-cyclohexyl-3-[[2-[3-(2-methoxyethoxy)anilino]-2-oxoethyl]amino]benzamide
SMILESCOCCOc1cccc(NC(=O)CNc2cccc(C(=O)NC3CCCCC3)c2)c1
InChIInChI=1S/C24H31N3O4/c1-30-13-14-31-22-12-6-11-21(16-22)26-23(28)17-25-20-10-5-7-18(15-20)24(29)27-19-8-3-2-4-9-19/h5-7,10-12,15-16,19,25H,2-4,8-9,13-14,17H2,1H3,(H,26,28)(H,27,29)
InChIKeyCPWVHKLBPBWSBY-UHFFFAOYSA-N
MW425.53 g/mol
LogP3.82
Rot. Bonds10

About N-cyclohexyl-3-[[2-[3-(2-methoxyethoxy)anilino]-2-oxoethyl]amino]benzamide

N-cyclohexyl-3-[[2-[3-(2-methoxyethoxy)anilino]-2-oxoethyl]amino]benzamide (PubChem CID 54831160) has the molecular formula C24H31N3O4 and a molecular weight of 425.53 g/mol. Its IUPAC name is N-cyclohexyl-3-[[2-[3-(2-methoxyethoxy)anilino]-2-oxoethyl]amino]benzamide.

Molecular Properties

Compound NameN-cyclohexyl-3-[[2-[3-(2-methoxyethoxy)anilino]-2-oxoethyl]amino]benzamide
PubChem CID54831160
Molecular FormulaC24H31N3O4
Molecular Weight425.53 g/mol
Exact Mass425.23
IUPAC NameN-cyclohexyl-3-[[2-[3-(2-methoxyethoxy)anilino]-2-oxoethyl]amino]benzamide
SMILESCOCCOc1cccc(NC(=O)CNc2cccc(C(=O)NC3CCCCC3)c2)c1
InChIInChI=1S/C24H31N3O4/c1-30-13-14-31-22-12-6-11-21(16-22)26-23(28)17-25-20-10-5-7-18(15-20)24(29)27-19-8-3-2-4-9-19/h5-7,10-12,15-16,19,25H,2-4,8-9,13-14,17H2,1H3,(H,26,28)(H,27,29)
InChIKeyCPWVHKLBPBWSBY-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

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-cyclohexyl-3-[[2-[4-(2-phenoxyethoxy)anilino]acetyl]amino]benzamide
CID 54822775
N-cyclohexyl-4-[[2-[3-(2-phenoxyethoxy)anilino]acetyl]amino]benzamide
CID 54825662
3-[[2-[4-(cyclohexylcarbamoyl)anilino]acetyl]amino]-N-(2-methoxyethyl)benzamide
CID 54844067
3-[[2-(3-benzamidoanilino)-2-oxoethyl]amino]-N-cyclohexylbenzamide
CID 54831035
3-[[2-(3-benzamidoanilino)acetyl]amino]-N-cyclohexylbenzamide
CID 54839098
3-[[2-(3-chloro-4-methoxyanilino)-2-oxoethyl]amino]-N-cyclohexylbenzamide
CID 54831344
3-[[2-[4-(butanoylamino)anilino]-2-oxoethyl]amino]-N-cyclohexylbenzamide
CID 54831098
N-[3-(2-methoxyethoxy)phenyl]-2-[3-(4-methylpiperidine-1-carbonyl)anilino]acetamide
CID 54843222
N-cyclohexyl-4-[[2-[3-(2-methylprop-2-enoxy)anilino]acetyl]amino]benzamide
CID 54825740
3-[[2-[3-(2-ethoxyethoxy)anilino]acetyl]amino]-N-(2-methoxyethyl)benzamide
CID 54827524
3-[[2-[3-(cyclohexylcarbamoyl)anilino]-2-oxoethyl]amino]-N-(1-phenylethyl)benzamide
CID 54842054
N-cyclohexyl-3-[[2-(4-phenylmethoxyanilino)acetyl]amino]benzamide
CID 54822029

Frequently Asked Questions

What is the IUPAC name of N-cyclohexyl-3-[[2-[3-(2-methoxyethoxy)anilino]-2-oxoethyl]amino]benzamide?
The IUPAC name of N-cyclohexyl-3-[[2-[3-(2-methoxyethoxy)anilino]-2-oxoethyl]amino]benzamide (CID 54831160) is N-cyclohexyl-3-[[2-[3-(2-methoxyethoxy)anilino]-2-oxoethyl]amino]benzamide.
What is the SMILES notation for N-cyclohexyl-3-[[2-[3-(2-methoxyethoxy)anilino]-2-oxoethyl]amino]benzamide?
The canonical SMILES for N-cyclohexyl-3-[[2-[3-(2-methoxyethoxy)anilino]-2-oxoethyl]amino]benzamide is COCCOc1cccc(NC(=O)CNc2cccc(C(=O)NC3CCCCC3)c2)c1.
What is the InChIKey of N-cyclohexyl-3-[[2-[3-(2-methoxyethoxy)anilino]-2-oxoethyl]amino]benzamide?
The InChIKey is CPWVHKLBPBWSBY-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H31N3O4/c1-30-13-14-31-22-12-6-11-21(16-22)26-23(28)17-25-20-10-5-7-18(15-20)24(29)27-19-8-3-2-4-9-19/h5-7,10-12,15-16,19,25H,2-4,8-9,13-14,17H2,1H3,(H,26,28)(H,27,29).
What are the key properties of N-cyclohexyl-3-[[2-[3-(2-methoxyethoxy)anilino]-2-oxoethyl]amino]benzamide?
N-cyclohexyl-3-[[2-[3-(2-methoxyethoxy)anilino]-2-oxoethyl]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-cyclohexyl-3-[[2-[3-(2-methoxyethoxy)anilino]-2-oxoethyl]amino]benzamide is sourced from PubChem (CID 54831160), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).