N-cyclopropyl-N-[4-(2-hydroxyethyl)-4-pyridin-2-ylcyclohexyl]-4-(2-hydroxypropan-2-yl)benzamide

C26H34N2O3 — CID 24966837

IUPACN-cyclopropyl-N-[4-(2-hydroxyethyl)-4-pyridin-2-ylcyclohexyl]-4-(2-hydroxypropan-2-yl)benzamide
SMILESCC(C)(O)c1ccc(C(=O)N(C2CC2)C2CCC(CCO)(c3ccccn3)CC2)cc1
InChIInChI=1S/C26H34N2O3/c1-25(2,31)20-8-6-19(7-9-20)24(30)28(21-10-11-21)22-12-14-26(15-13-22,16-18-29)23-5-3-4-17-27-23/h3-9,17,21-22,29,31H,10-16,18H2,1-2H3
InChIKeyDWXLQYSWEWRUBW-UHFFFAOYSA-N
MW422.57 g/mol
LogP4.18
Rot. Bonds7

About N-cyclopropyl-N-[4-(2-hydroxyethyl)-4-pyridin-2-ylcyclohexyl]-4-(2-hydroxypropan-2-yl)benzamide

N-cyclopropyl-N-[4-(2-hydroxyethyl)-4-pyridin-2-ylcyclohexyl]-4-(2-hydroxypropan-2-yl)benzamide (PubChem CID 24966837) has the molecular formula C26H34N2O3 and a molecular weight of 422.57 g/mol. Its IUPAC name is N-cyclopropyl-N-[4-(2-hydroxyethyl)-4-pyridin-2-ylcyclohexyl]-4-(2-hydroxypropan-2-yl)benzamide.

Molecular Properties

Compound NameN-cyclopropyl-N-[4-(2-hydroxyethyl)-4-pyridin-2-ylcyclohexyl]-4-(2-hydroxypropan-2-yl)benzamide
PubChem CID24966837
Molecular FormulaC26H34N2O3
Molecular Weight422.57 g/mol
Exact Mass422.26
IUPAC NameN-cyclopropyl-N-[4-(2-hydroxyethyl)-4-pyridin-2-ylcyclohexyl]-4-(2-hydroxypropan-2-yl)benzamide
SMILESCC(C)(O)c1ccc(C(=O)N(C2CC2)C2CCC(CCO)(c3ccccn3)CC2)cc1
InChIInChI=1S/C26H34N2O3/c1-25(2,31)20-8-6-19(7-9-20)24(30)28(21-10-11-21)22-12-14-26(15-13-22,16-18-29)23-5-3-4-17-27-23/h3-9,17,21-22,29,31H,10-16,18H2,1-2H3
InChIKeyDWXLQYSWEWRUBW-UHFFFAOYSA-N
XLogP4.18
TPSA73.66 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500422.57
LogP ≤ 54.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-N-[4-(2-hydroxyethyl)-4-pyridin-2-ylcyclohexyl]-4-(2-hydroxypropan-2-yl)benzamide?
The IUPAC name of N-cyclopropyl-N-[4-(2-hydroxyethyl)-4-pyridin-2-ylcyclohexyl]-4-(2-hydroxypropan-2-yl)benzamide (CID 24966837) is N-cyclopropyl-N-[4-(2-hydroxyethyl)-4-pyridin-2-ylcyclohexyl]-4-(2-hydroxypropan-2-yl)benzamide.
What is the SMILES notation for N-cyclopropyl-N-[4-(2-hydroxyethyl)-4-pyridin-2-ylcyclohexyl]-4-(2-hydroxypropan-2-yl)benzamide?
The canonical SMILES for N-cyclopropyl-N-[4-(2-hydroxyethyl)-4-pyridin-2-ylcyclohexyl]-4-(2-hydroxypropan-2-yl)benzamide is CC(C)(O)c1ccc(C(=O)N(C2CC2)C2CCC(CCO)(c3ccccn3)CC2)cc1.
What is the InChIKey of N-cyclopropyl-N-[4-(2-hydroxyethyl)-4-pyridin-2-ylcyclohexyl]-4-(2-hydroxypropan-2-yl)benzamide?
The InChIKey is DWXLQYSWEWRUBW-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H34N2O3/c1-25(2,31)20-8-6-19(7-9-20)24(30)28(21-10-11-21)22-12-14-26(15-13-22,16-18-29)23-5-3-4-17-27-23/h3-9,17,21-22,29,31H,10-16,18H2,1-2H3.
What are the key properties of N-cyclopropyl-N-[4-(2-hydroxyethyl)-4-pyridin-2-ylcyclohexyl]-4-(2-hydroxypropan-2-yl)benzamide?
N-cyclopropyl-N-[4-(2-hydroxyethyl)-4-pyridin-2-ylcyclohexyl]-4-(2-hydroxypropan-2-yl)benzamide has a molecular weight of 422.57 g/mol, XLogP of 4.18, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-N-[4-(2-hydroxyethyl)-4-pyridin-2-ylcyclohexyl]-4-(2-hydroxypropan-2-yl)benzamide is sourced from PubChem (CID 24966837), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).