2-(1-hydroxycyclohexyl)-N-[[6-[(2-methylpropan-2-yl)oxy]-3-pyridinyl]methyl]acetamide

C18H28N2O3 — CID 110010126

IUPAC2-(1-hydroxycyclohexyl)-N-[[6-[(2-methylpropan-2-yl)oxy]-3-pyridinyl]methyl]acetamide
SMILESCC(C)(C)Oc1ccc(CNC(=O)CC2(O)CCCCC2)cn1
InChIInChI=1S/C18H28N2O3/c1-17(2,3)23-16-8-7-14(13-20-16)12-19-15(21)11-18(22)9-5-4-6-10-18/h7-8,13,22H,4-6,9-12H2,1-3H3,(H,19,21)
InChIKeyLRVASOPCZFCXJI-UHFFFAOYSA-N
MW320.43 g/mol
LogP2.96
Rot. Bonds5

About 2-(1-hydroxycyclohexyl)-N-[[6-[(2-methylpropan-2-yl)oxy]-3-pyridinyl]methyl]acetamide

2-(1-hydroxycyclohexyl)-N-[[6-[(2-methylpropan-2-yl)oxy]-3-pyridinyl]methyl]acetamide (PubChem CID 110010126) has the molecular formula C18H28N2O3 and a molecular weight of 320.43 g/mol. Its IUPAC name is 2-(1-hydroxycyclohexyl)-N-[[6-[(2-methylpropan-2-yl)oxy]-3-pyridinyl]methyl]acetamide.

Molecular Properties

Compound Name2-(1-hydroxycyclohexyl)-N-[[6-[(2-methylpropan-2-yl)oxy]-3-pyridinyl]methyl]acetamide
PubChem CID110010126
Molecular FormulaC18H28N2O3
Molecular Weight320.43 g/mol
Exact Mass320.21
IUPAC Name2-(1-hydroxycyclohexyl)-N-[[6-[(2-methylpropan-2-yl)oxy]-3-pyridinyl]methyl]acetamide
SMILESCC(C)(C)Oc1ccc(CNC(=O)CC2(O)CCCCC2)cn1
InChIInChI=1S/C18H28N2O3/c1-17(2,3)23-16-8-7-14(13-20-16)12-19-15(21)11-18(22)9-5-4-6-10-18/h7-8,13,22H,4-6,9-12H2,1-3H3,(H,19,21)
InChIKeyLRVASOPCZFCXJI-UHFFFAOYSA-N
XLogP2.96
TPSA71.45 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.43
LogP ≤ 52.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 2-(1-hydroxycyclohexyl)-N-[[6-[(2-methylpropan-2-yl)oxy]-3-pyridinyl]methyl]acetamide 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-[[6-(cyclopropylmethoxy)-3-pyridinyl]methyl]-2-(1-hydroxycyclopentyl)acetamide
CID 111430830
N-[[6-(4-ethylpiperazin-1-yl)-3-pyridinyl]methyl]-2-(1-hydroxycyclopentyl)acetamide
CID 111430632
2-(1-hydroxycyclohexyl)-N-[(4-propan-2-yloxyphenyl)methyl]acetamide
CID 111331803
N-[[6-[(2-methylpropan-2-yl)oxy]-3-pyridinyl]methyl]pyridine-4-carboxamide
CID 86783842
1-[[6-[(2-methylpropan-2-yl)oxy]-3-pyridinyl]methyl]-3-(pyridin-2-ylmethyl)urea
CID 75517689
3-(3-fluorophenyl)-3-hydroxy-N-[[6-[(2-methylpropan-2-yl)oxy]-3-pyridinyl]methyl]propanamide
CID 110010112
2-(1-hydroxycyclopentyl)-N-[[4-(2,2,2-trifluoroethoxymethyl)phenyl]methyl]acetamide
CID 111430375
1-tert-butyl-3-[(6-methoxy-3-pyridinyl)methyl]urea
CID 115576607
2-(1-hydroxycyclopentyl)-N-[(3-methoxyphenyl)methyl]acetamide
CID 111430199
2-(1-hydroxycyclopentyl)-N-[[4-(imidazol-1-ylmethyl)phenyl]methyl]acetamide
CID 111430641
1-[[(6-methoxy-3-pyridinyl)methylamino]methyl]cyclobutan-1-ol
CID 114936941
N-[(6-methoxy-3-pyridinyl)methyl]spiro[2.4]heptane-2-carboxamide
CID 139007117

Frequently Asked Questions

What is the IUPAC name of 2-(1-hydroxycyclohexyl)-N-[[6-[(2-methylpropan-2-yl)oxy]-3-pyridinyl]methyl]acetamide?
The IUPAC name of 2-(1-hydroxycyclohexyl)-N-[[6-[(2-methylpropan-2-yl)oxy]-3-pyridinyl]methyl]acetamide (CID 110010126) is 2-(1-hydroxycyclohexyl)-N-[[6-[(2-methylpropan-2-yl)oxy]-3-pyridinyl]methyl]acetamide.
What is the SMILES notation for 2-(1-hydroxycyclohexyl)-N-[[6-[(2-methylpropan-2-yl)oxy]-3-pyridinyl]methyl]acetamide?
The canonical SMILES for 2-(1-hydroxycyclohexyl)-N-[[6-[(2-methylpropan-2-yl)oxy]-3-pyridinyl]methyl]acetamide is CC(C)(C)Oc1ccc(CNC(=O)CC2(O)CCCCC2)cn1.
What is the InChIKey of 2-(1-hydroxycyclohexyl)-N-[[6-[(2-methylpropan-2-yl)oxy]-3-pyridinyl]methyl]acetamide?
The InChIKey is LRVASOPCZFCXJI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H28N2O3/c1-17(2,3)23-16-8-7-14(13-20-16)12-19-15(21)11-18(22)9-5-4-6-10-18/h7-8,13,22H,4-6,9-12H2,1-3H3,(H,19,21).
What are the key properties of 2-(1-hydroxycyclohexyl)-N-[[6-[(2-methylpropan-2-yl)oxy]-3-pyridinyl]methyl]acetamide?
2-(1-hydroxycyclohexyl)-N-[[6-[(2-methylpropan-2-yl)oxy]-3-pyridinyl]methyl]acetamide has a molecular weight of 320.43 g/mol, XLogP of 2.96, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-hydroxycyclohexyl)-N-[[6-[(2-methylpropan-2-yl)oxy]-3-pyridinyl]methyl]acetamide is sourced from PubChem (CID 110010126), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).