N-(2-cyclopentylethyl)-3-[2-cyclopropyl-4-(pyridin-4-ylmethoxy)anilino]benzamide

C29H33N3O2 — CID 146295815

IUPACN-(2-cyclopentylethyl)-3-[2-cyclopropyl-4-(pyridin-4-ylmethoxy)anilino]benzamide
SMILESO=C(NCCC1CCCC1)c1cccc(Nc2ccc(OCc3ccncc3)cc2C2CC2)c1
InChIInChI=1S/C29H33N3O2/c33-29(31-17-14-21-4-1-2-5-21)24-6-3-7-25(18-24)32-28-11-10-26(19-27(28)23-8-9-23)34-20-22-12-15-30-16-13-22/h3,6-7,10-13,15-16,18-19,21,23,32H,1-2,4-5,8-9,14,17,20H2,(H,31,33)
InChIKeyBOBLHZWVWAGPFB-UHFFFAOYSA-N
MW455.60 g/mol
LogP6.59
Rot. Bonds10

About N-(2-cyclopentylethyl)-3-[2-cyclopropyl-4-(pyridin-4-ylmethoxy)anilino]benzamide

N-(2-cyclopentylethyl)-3-[2-cyclopropyl-4-(pyridin-4-ylmethoxy)anilino]benzamide (PubChem CID 146295815) has the molecular formula C29H33N3O2 and a molecular weight of 455.60 g/mol. Its IUPAC name is N-(2-cyclopentylethyl)-3-[2-cyclopropyl-4-(pyridin-4-ylmethoxy)anilino]benzamide.

Molecular Properties

Compound NameN-(2-cyclopentylethyl)-3-[2-cyclopropyl-4-(pyridin-4-ylmethoxy)anilino]benzamide
PubChem CID146295815
Molecular FormulaC29H33N3O2
Molecular Weight455.60 g/mol
Exact Mass455.26
IUPAC NameN-(2-cyclopentylethyl)-3-[2-cyclopropyl-4-(pyridin-4-ylmethoxy)anilino]benzamide
SMILESO=C(NCCC1CCCC1)c1cccc(Nc2ccc(OCc3ccncc3)cc2C2CC2)c1
InChIInChI=1S/C29H33N3O2/c33-29(31-17-14-21-4-1-2-5-21)24-6-3-7-25(18-24)32-28-11-10-26(19-27(28)23-8-9-23)34-20-22-12-15-30-16-13-22/h3,6-7,10-13,15-16,18-19,21,23,32H,1-2,4-5,8-9,14,17,20H2,(H,31,33)
InChIKeyBOBLHZWVWAGPFB-UHFFFAOYSA-N
XLogP6.59
TPSA63.25 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500455.60
LogP ≤ 56.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze N-(2-cyclopentylethyl)-3-[2-cyclopropyl-4-(pyridin-4-ylmethoxy)anilino]benzamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-(2-cyclopentylethyl)-3-[2-methyl-4-(2-pyridin-2-ylethoxy)anilino]benzamide
CID 146295901
N-(2-cyclohexylethyl)-3-(methylamino)benzamide
CID 115160938
3-cyclopropyl-N-(4,5-dihydro-1H-imidazol-2-yl)-4-[3-[2-(oxan-4-yl)ethylcarbamoyl]anilino]benzamide
CID 155586831
3-cyclopropyl-N-pyrimidin-2-yl-4-[3-(2,2,2-trifluoroethylcarbamoyl)anilino]benzamide
CID 175154520
3-bromo-N-(2-cyclohexylethyl)benzamide
CID 63524561
N-[3-(2-cyclopentylethylcarbamoyl)phenyl]oxolane-2-carboxamide
CID 42884229
3-cyclohexyl-N-[3-(2-fluoro-4-phenylmethoxyanilino)phenyl]propanamide
CID 146295943
N-[3-(3-cyclohexylpropoxy)-5-methylphenyl]-2-cyclopropyl-4-phenylmethoxyaniline
CID 146295836
N-cycloheptyl-4-(pyridin-4-ylmethoxy)benzamide
CID 34947835
N-[3-[5-(2-cyclohexylethyl)-1,2,4-oxadiazol-3-yl]phenyl]-2-cyclopropyl-4-(pyridin-2-ylmethoxy)aniline
CID 146295965
2-amino-N-(2-cyclopentylethyl)pyridine-4-carboxamide
CID 62161813
N-[2-(4-methoxyphenyl)ethyl]-3-(pyridin-4-ylamino)benzamide
CID 117092507

Frequently Asked Questions

What is the IUPAC name of N-(2-cyclopentylethyl)-3-[2-cyclopropyl-4-(pyridin-4-ylmethoxy)anilino]benzamide?
The IUPAC name of N-(2-cyclopentylethyl)-3-[2-cyclopropyl-4-(pyridin-4-ylmethoxy)anilino]benzamide (CID 146295815) is N-(2-cyclopentylethyl)-3-[2-cyclopropyl-4-(pyridin-4-ylmethoxy)anilino]benzamide.
What is the SMILES notation for N-(2-cyclopentylethyl)-3-[2-cyclopropyl-4-(pyridin-4-ylmethoxy)anilino]benzamide?
The canonical SMILES for N-(2-cyclopentylethyl)-3-[2-cyclopropyl-4-(pyridin-4-ylmethoxy)anilino]benzamide is O=C(NCCC1CCCC1)c1cccc(Nc2ccc(OCc3ccncc3)cc2C2CC2)c1.
What is the InChIKey of N-(2-cyclopentylethyl)-3-[2-cyclopropyl-4-(pyridin-4-ylmethoxy)anilino]benzamide?
The InChIKey is BOBLHZWVWAGPFB-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H33N3O2/c33-29(31-17-14-21-4-1-2-5-21)24-6-3-7-25(18-24)32-28-11-10-26(19-27(28)23-8-9-23)34-20-22-12-15-30-16-13-22/h3,6-7,10-13,15-16,18-19,21,23,32H,1-2,4-5,8-9,14,17,20H2,(H,31,33).
What are the key properties of N-(2-cyclopentylethyl)-3-[2-cyclopropyl-4-(pyridin-4-ylmethoxy)anilino]benzamide?
N-(2-cyclopentylethyl)-3-[2-cyclopropyl-4-(pyridin-4-ylmethoxy)anilino]benzamide has a molecular weight of 455.60 g/mol, XLogP of 6.59, 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-cyclopropyl-4-(pyridin-4-ylmethoxy)anilino]benzamide is sourced from PubChem (CID 146295815), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).