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

C24H31N3O2 — CID 110241919

IUPACN-[[4-[acetamido(pyridin-2-yl)methyl]cyclohexyl]methyl]-2-(4-methylphenyl)acetamide
SMILESCC(=O)NC(c1ccccn1)C1CCC(CNC(=O)Cc2ccc(C)cc2)CC1
InChIInChI=1S/C24H31N3O2/c1-17-6-8-19(9-7-17)15-23(29)26-16-20-10-12-21(13-11-20)24(27-18(2)28)22-5-3-4-14-25-22/h3-9,14,20-21,24H,10-13,15-16H2,1-2H3,(H,26,29)(H,27,28)
InChIKeyMSIXZVFESOBVDK-UHFFFAOYSA-N
MW393.53 g/mol
LogP3.73
Rot. Bonds7

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

N-[[4-[acetamido(pyridin-2-yl)methyl]cyclohexyl]methyl]-2-(4-methylphenyl)acetamide (PubChem CID 110241919) has the molecular formula C24H31N3O2 and a molecular weight of 393.53 g/mol. Its IUPAC name is N-[[4-[acetamido(pyridin-2-yl)methyl]cyclohexyl]methyl]-2-(4-methylphenyl)acetamide.

Molecular Properties

Compound NameN-[[4-[acetamido(pyridin-2-yl)methyl]cyclohexyl]methyl]-2-(4-methylphenyl)acetamide
PubChem CID110241919
Molecular FormulaC24H31N3O2
Molecular Weight393.53 g/mol
Exact Mass393.24
IUPAC NameN-[[4-[acetamido(pyridin-2-yl)methyl]cyclohexyl]methyl]-2-(4-methylphenyl)acetamide
SMILESCC(=O)NC(c1ccccn1)C1CCC(CNC(=O)Cc2ccc(C)cc2)CC1
InChIInChI=1S/C24H31N3O2/c1-17-6-8-19(9-7-17)15-23(29)26-16-20-10-12-21(13-11-20)24(27-18(2)28)22-5-3-4-14-25-22/h3-9,14,20-21,24H,10-13,15-16H2,1-2H3,(H,26,29)(H,27,28)
InChIKeyMSIXZVFESOBVDK-UHFFFAOYSA-N
XLogP3.73
TPSA71.09 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.53
LogP ≤ 53.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[[4-[acetamido(pyridin-2-yl)methyl]cyclohexyl]methyl]-2-phenylacetamide
CID 110241906
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-(4-methyltriazol-1-yl)acetamide
CID 98136040
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-(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-[(S)-[1-[2-(4-methoxyphenyl)acetyl]piperidin-4-yl]-pyridin-2-ylmethyl]acetamide
CID 92550244
N-[(4-aminocyclohexyl)methyl]-2-(4-methylphenyl)acetamide
CID 106124207

Frequently Asked Questions

What is the IUPAC name of N-[[4-[acetamido(pyridin-2-yl)methyl]cyclohexyl]methyl]-2-(4-methylphenyl)acetamide?
The IUPAC name of N-[[4-[acetamido(pyridin-2-yl)methyl]cyclohexyl]methyl]-2-(4-methylphenyl)acetamide (CID 110241919) is N-[[4-[acetamido(pyridin-2-yl)methyl]cyclohexyl]methyl]-2-(4-methylphenyl)acetamide.
What is the SMILES notation for N-[[4-[acetamido(pyridin-2-yl)methyl]cyclohexyl]methyl]-2-(4-methylphenyl)acetamide?
The canonical SMILES for N-[[4-[acetamido(pyridin-2-yl)methyl]cyclohexyl]methyl]-2-(4-methylphenyl)acetamide is CC(=O)NC(c1ccccn1)C1CCC(CNC(=O)Cc2ccc(C)cc2)CC1.
What is the InChIKey of N-[[4-[acetamido(pyridin-2-yl)methyl]cyclohexyl]methyl]-2-(4-methylphenyl)acetamide?
The InChIKey is MSIXZVFESOBVDK-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H31N3O2/c1-17-6-8-19(9-7-17)15-23(29)26-16-20-10-12-21(13-11-20)24(27-18(2)28)22-5-3-4-14-25-22/h3-9,14,20-21,24H,10-13,15-16H2,1-2H3,(H,26,29)(H,27,28).
What are the key properties of N-[[4-[acetamido(pyridin-2-yl)methyl]cyclohexyl]methyl]-2-(4-methylphenyl)acetamide?
N-[[4-[acetamido(pyridin-2-yl)methyl]cyclohexyl]methyl]-2-(4-methylphenyl)acetamide has a molecular weight of 393.53 g/mol, XLogP of 3.73, 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-(4-methylphenyl)acetamide is sourced from PubChem (CID 110241919), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).