N-[[4-[acetamido(pyridin-2-yl)methyl]cyclohexyl]methyl]-2-phenylacetamide

C23H29N3O2 — CID 110241906

IUPACN-[[4-[acetamido(pyridin-2-yl)methyl]cyclohexyl]methyl]-2-phenylacetamide
SMILESCC(=O)NC(c1ccccn1)C1CCC(CNC(=O)Cc2ccccc2)CC1
InChIInChI=1S/C23H29N3O2/c1-17(27)26-23(21-9-5-6-14-24-21)20-12-10-19(11-13-20)16-25-22(28)15-18-7-3-2-4-8-18/h2-9,14,19-20,23H,10-13,15-16H2,1H3,(H,25,28)(H,26,27)
InChIKeySYQIVOCGDROAEY-UHFFFAOYSA-N
MW379.50 g/mol
LogP3.42
Rot. Bonds7

About N-[[4-[acetamido(pyridin-2-yl)methyl]cyclohexyl]methyl]-2-phenylacetamide

N-[[4-[acetamido(pyridin-2-yl)methyl]cyclohexyl]methyl]-2-phenylacetamide (PubChem CID 110241906) has the molecular formula C23H29N3O2 and a molecular weight of 379.50 g/mol. Its IUPAC name is N-[[4-[acetamido(pyridin-2-yl)methyl]cyclohexyl]methyl]-2-phenylacetamide.

Molecular Properties

Compound NameN-[[4-[acetamido(pyridin-2-yl)methyl]cyclohexyl]methyl]-2-phenylacetamide
PubChem CID110241906
Molecular FormulaC23H29N3O2
Molecular Weight379.50 g/mol
Exact Mass379.23
IUPAC NameN-[[4-[acetamido(pyridin-2-yl)methyl]cyclohexyl]methyl]-2-phenylacetamide
SMILESCC(=O)NC(c1ccccn1)C1CCC(CNC(=O)Cc2ccccc2)CC1
InChIInChI=1S/C23H29N3O2/c1-17(27)26-23(21-9-5-6-14-24-21)20-12-10-19(11-13-20)16-25-22(28)15-18-7-3-2-4-8-18/h2-9,14,19-20,23H,10-13,15-16H2,1H3,(H,25,28)(H,26,27)
InChIKeySYQIVOCGDROAEY-UHFFFAOYSA-N
XLogP3.42
TPSA71.09 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.50
LogP ≤ 53.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[[4-[acetamido(pyridin-2-yl)methyl]cyclohexyl]methyl]-2-(4-methylphenyl)acetamide
CID 110241919
N-[[4-[(R)-acetamido(pyridin-2-yl)methyl]cyclohexyl]methyl]-3-methylbutanamide
CID 98135945
N-[[4-[(S)-acetamido(pyridin-2-yl)methyl]cyclohexyl]methyl]-2,2-dimethylpropanamide
CID 98135966
N-[[4-[(S)-acetamido(pyridin-2-yl)methyl]cyclohexyl]methyl]-2-methoxybenzamide
CID 98135958
N-[[4-[(S)-acetamido(pyridin-2-yl)methyl]cyclohexyl]methyl]-2-aminopyridine-3-carboxamide
CID 98136032
N-[(S)-[4-(acetamidomethyl)cyclohexyl]-pyridin-2-ylmethyl]-2-(3-fluorophenyl)acetamide
CID 98136163
N-[[4-[(S)-acetamido(pyridin-2-yl)methyl]cyclohexyl]methyl]-2-(4-methyltriazol-1-yl)acetamide
CID 98136040
N-[[4-(acetamidomethyl)cyclohexyl]-pyridin-2-ylmethyl]cyclobutanecarboxamide
CID 110241999
N-[[4-[acetamido(pyridin-2-yl)methyl]cyclohexyl]methyl]-5-aminopyridine-3-carboxamide
CID 110241934
N-[(S)-[4-(acetamidomethyl)cyclohexyl]-pyridin-2-ylmethyl]-3,5-dimethyl-1,2-oxazole-4-carboxamide
CID 98136166
N-[(R)-[1-(3-phenylpropanoyl)piperidin-4-yl]-pyridin-2-ylmethyl]acetamide
CID 92550234
N-[[4-[(S)-dimethylamino(pyridin-2-yl)methyl]cyclohexyl]methyl]-2-pyridin-3-ylacetamide
CID 98136069

Frequently Asked Questions

What is the IUPAC name of N-[[4-[acetamido(pyridin-2-yl)methyl]cyclohexyl]methyl]-2-phenylacetamide?
The IUPAC name of N-[[4-[acetamido(pyridin-2-yl)methyl]cyclohexyl]methyl]-2-phenylacetamide (CID 110241906) is N-[[4-[acetamido(pyridin-2-yl)methyl]cyclohexyl]methyl]-2-phenylacetamide.
What is the SMILES notation for N-[[4-[acetamido(pyridin-2-yl)methyl]cyclohexyl]methyl]-2-phenylacetamide?
The canonical SMILES for N-[[4-[acetamido(pyridin-2-yl)methyl]cyclohexyl]methyl]-2-phenylacetamide is CC(=O)NC(c1ccccn1)C1CCC(CNC(=O)Cc2ccccc2)CC1.
What is the InChIKey of N-[[4-[acetamido(pyridin-2-yl)methyl]cyclohexyl]methyl]-2-phenylacetamide?
The InChIKey is SYQIVOCGDROAEY-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H29N3O2/c1-17(27)26-23(21-9-5-6-14-24-21)20-12-10-19(11-13-20)16-25-22(28)15-18-7-3-2-4-8-18/h2-9,14,19-20,23H,10-13,15-16H2,1H3,(H,25,28)(H,26,27).
What are the key properties of N-[[4-[acetamido(pyridin-2-yl)methyl]cyclohexyl]methyl]-2-phenylacetamide?
N-[[4-[acetamido(pyridin-2-yl)methyl]cyclohexyl]methyl]-2-phenylacetamide has a molecular weight of 379.50 g/mol, XLogP of 3.42, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-[acetamido(pyridin-2-yl)methyl]cyclohexyl]methyl]-2-phenylacetamide is sourced from PubChem (CID 110241906), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).