N-(2-cyclopentylethyl)-3-[2-methyl-4-(2-pyridin-2-ylethoxy)anilino]benzamide

C28H33N3O2 — CID 146295901

IUPACN-(2-cyclopentylethyl)-3-[2-methyl-4-(2-pyridin-2-ylethoxy)anilino]benzamide
SMILESCc1cc(OCCc2ccccn2)ccc1Nc1cccc(C(=O)NCCC2CCCC2)c1
InChIInChI=1S/C28H33N3O2/c1-21-19-26(33-18-15-24-10-4-5-16-29-24)12-13-27(21)31-25-11-6-9-23(20-25)28(32)30-17-14-22-7-2-3-8-22/h4-6,9-13,16,19-20,22,31H,2-3,7-8,14-15,17-18H2,1H3,(H,30,32)
InChIKeyHNVBXXDMLSVIAT-UHFFFAOYSA-N
MW443.59 g/mol
LogP6.07
Rot. Bonds10

About N-(2-cyclopentylethyl)-3-[2-methyl-4-(2-pyridin-2-ylethoxy)anilino]benzamide

N-(2-cyclopentylethyl)-3-[2-methyl-4-(2-pyridin-2-ylethoxy)anilino]benzamide (PubChem CID 146295901) has the molecular formula C28H33N3O2 and a molecular weight of 443.59 g/mol. Its IUPAC name is N-(2-cyclopentylethyl)-3-[2-methyl-4-(2-pyridin-2-ylethoxy)anilino]benzamide.

Molecular Properties

Compound NameN-(2-cyclopentylethyl)-3-[2-methyl-4-(2-pyridin-2-ylethoxy)anilino]benzamide
PubChem CID146295901
Molecular FormulaC28H33N3O2
Molecular Weight443.59 g/mol
Exact Mass443.26
IUPAC NameN-(2-cyclopentylethyl)-3-[2-methyl-4-(2-pyridin-2-ylethoxy)anilino]benzamide
SMILESCc1cc(OCCc2ccccn2)ccc1Nc1cccc(C(=O)NCCC2CCCC2)c1
InChIInChI=1S/C28H33N3O2/c1-21-19-26(33-18-15-24-10-4-5-16-29-24)12-13-27(21)31-25-11-6-9-23(20-25)28(32)30-17-14-22-7-2-3-8-22/h4-6,9-13,16,19-20,22,31H,2-3,7-8,14-15,17-18H2,1H3,(H,30,32)
InChIKeyHNVBXXDMLSVIAT-UHFFFAOYSA-N
XLogP6.07
TPSA63.25 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500443.59
LogP ≤ 56.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-[3-[2-methyl-4-(pyridin-2-ylmethoxy)anilino]phenyl]-2-(oxetan-3-yl)ethanone
CID 158035478
N-(2-cyclopentylethyl)-3-[2-cyclopropyl-4-(pyridin-4-ylmethoxy)anilino]benzamide
CID 146295815
N-(2-cyclohexylethyl)-3-(methylamino)benzamide
CID 115160938
N-(2-cyclopropylethyl)-3-[4-(2-pyridin-2-ylethenyl)anilino]benzamide
CID 146295793
3-[[2-(3,4-dimethylphenoxy)acetyl]amino]-N-(pyridin-2-ylmethyl)benzamide
CID 55783941
4-cyclopentyl-1-[3-[4-(pyridin-2-ylmethoxy)anilino]phenyl]butan-1-one
CID 158534740
N-(2-cyclopentylethyl)-2-(hydroxymethyl)pyridine-4-carboxamide
CID 115116140
3-bromo-N-(2-cyclohexylethyl)benzamide
CID 63524561
N-(2-cyclopentylethyl)-3-hydroxy-4-methylbenzamide
CID 54932367
N-(pyridin-2-ylmethyl)-3-(pyrimidin-2-ylamino)benzamide
CID 31860864
2-(2-aminoethyl)-N-(2-cyclobutylethyl)pyridine-4-carboxamide
CID 115116320
N-[(2,2-dimethylcyclopentyl)methyl]-4-[3-(2-pyridin-2-ylethoxy)phenyl]benzamide
CID 21361552

Frequently Asked Questions

What is the IUPAC name of N-(2-cyclopentylethyl)-3-[2-methyl-4-(2-pyridin-2-ylethoxy)anilino]benzamide?
The IUPAC name of N-(2-cyclopentylethyl)-3-[2-methyl-4-(2-pyridin-2-ylethoxy)anilino]benzamide (CID 146295901) is N-(2-cyclopentylethyl)-3-[2-methyl-4-(2-pyridin-2-ylethoxy)anilino]benzamide.
What is the SMILES notation for N-(2-cyclopentylethyl)-3-[2-methyl-4-(2-pyridin-2-ylethoxy)anilino]benzamide?
The canonical SMILES for N-(2-cyclopentylethyl)-3-[2-methyl-4-(2-pyridin-2-ylethoxy)anilino]benzamide is Cc1cc(OCCc2ccccn2)ccc1Nc1cccc(C(=O)NCCC2CCCC2)c1.
What is the InChIKey of N-(2-cyclopentylethyl)-3-[2-methyl-4-(2-pyridin-2-ylethoxy)anilino]benzamide?
The InChIKey is HNVBXXDMLSVIAT-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H33N3O2/c1-21-19-26(33-18-15-24-10-4-5-16-29-24)12-13-27(21)31-25-11-6-9-23(20-25)28(32)30-17-14-22-7-2-3-8-22/h4-6,9-13,16,19-20,22,31H,2-3,7-8,14-15,17-18H2,1H3,(H,30,32).
What are the key properties of N-(2-cyclopentylethyl)-3-[2-methyl-4-(2-pyridin-2-ylethoxy)anilino]benzamide?
N-(2-cyclopentylethyl)-3-[2-methyl-4-(2-pyridin-2-ylethoxy)anilino]benzamide has a molecular weight of 443.59 g/mol, XLogP of 6.07, 10 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-cyclopentylethyl)-3-[2-methyl-4-(2-pyridin-2-ylethoxy)anilino]benzamide is sourced from PubChem (CID 146295901), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).