N-[(1-hydroxycycloheptyl)methyl]-2-[(1S,3S)-3-methylcyclohexyl]acetamide

C17H31NO2 — CID 99809445

IUPACN-[(1-hydroxycycloheptyl)methyl]-2-[(1S,3S)-3-methylcyclohexyl]acetamide
SMILESC[C@H]1CCC[C@H](CC(=O)NCC2(O)CCCCCC2)C1
InChIInChI=1S/C17H31NO2/c1-14-7-6-8-15(11-14)12-16(19)18-13-17(20)9-4-2-3-5-10-17/h14-15,20H,2-13H2,1H3,(H,18,19)/t14-,15-/m0/s1
InChIKeyHKARKNGAQDZRRP-GJZGRUSLSA-N
MW281.44 g/mol
LogP3.40
Rot. Bonds4

About N-[(1-hydroxycycloheptyl)methyl]-2-[(1S,3S)-3-methylcyclohexyl]acetamide

N-[(1-hydroxycycloheptyl)methyl]-2-[(1S,3S)-3-methylcyclohexyl]acetamide (PubChem CID 99809445) has the molecular formula C17H31NO2 and a molecular weight of 281.44 g/mol. Its IUPAC name is N-[(1-hydroxycycloheptyl)methyl]-2-[(1S,3S)-3-methylcyclohexyl]acetamide.

Molecular Properties

Compound NameN-[(1-hydroxycycloheptyl)methyl]-2-[(1S,3S)-3-methylcyclohexyl]acetamide
PubChem CID99809445
Molecular FormulaC17H31NO2
Molecular Weight281.44 g/mol
Exact Mass281.24
IUPAC NameN-[(1-hydroxycycloheptyl)methyl]-2-[(1S,3S)-3-methylcyclohexyl]acetamide
SMILESC[C@H]1CCC[C@H](CC(=O)NCC2(O)CCCCCC2)C1
InChIInChI=1S/C17H31NO2/c1-14-7-6-8-15(11-14)12-16(19)18-13-17(20)9-4-2-3-5-10-17/h14-15,20H,2-13H2,1H3,(H,18,19)/t14-,15-/m0/s1
InChIKeyHKARKNGAQDZRRP-GJZGRUSLSA-N
XLogP3.40
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.44
LogP ≤ 53.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-[(1-hydroxycyclobutyl)methyl]-2-(3-methylcyclohexyl)acetamide
CID 111463205
2-cyclobutyl-N-[(1-hydroxy-4-methylcyclohexyl)methyl]acetamide
CID 103164693
2-(8-azabicyclo[3.2.1]octan-3-yl)-N-[(1-hydroxycyclohexyl)methyl]acetamide
CID 79615256
2-[(1S,3R)-3-methylcyclohexyl]-N-[(1-thiomorpholin-4-ylcyclopentyl)methyl]acetamide
CID 99793014
2-cycloheptyl-N-[(4-hydroxyoxan-4-yl)methyl]acetamide
CID 111825728
N-[2-(ethylamino)ethyl]-2-(3-methylcyclohexyl)acetamide
CID 119507538
2-cyclobutyl-N-[(3-hydroxypyrrolidin-3-yl)methyl]acetamide
CID 103162273
N-[(1-hydroxycyclobutyl)methyl]-2-(1-hydroxycyclohexyl)acetamide
CID 111539371
4-cyclohexyl-N-[(1-hydroxycyclobutyl)methyl]butanamide
CID 115643503
2-cyclobutyl-N-[(3-hydroxyoxolan-3-yl)methyl]acetamide
CID 103849320
2-(1-hydroxycyclohexyl)-N-(3-methylcyclohexyl)acetamide
CID 111464407
2-cyclopentyl-N-[(3-hydroxypyrrolidin-3-yl)methyl]acetamide
CID 114760691

Frequently Asked Questions

What is the IUPAC name of N-[(1-hydroxycycloheptyl)methyl]-2-[(1S,3S)-3-methylcyclohexyl]acetamide?
The IUPAC name of N-[(1-hydroxycycloheptyl)methyl]-2-[(1S,3S)-3-methylcyclohexyl]acetamide (CID 99809445) is N-[(1-hydroxycycloheptyl)methyl]-2-[(1S,3S)-3-methylcyclohexyl]acetamide.
What is the SMILES notation for N-[(1-hydroxycycloheptyl)methyl]-2-[(1S,3S)-3-methylcyclohexyl]acetamide?
The canonical SMILES for N-[(1-hydroxycycloheptyl)methyl]-2-[(1S,3S)-3-methylcyclohexyl]acetamide is C[C@H]1CCC[C@H](CC(=O)NCC2(O)CCCCCC2)C1.
What is the InChIKey of N-[(1-hydroxycycloheptyl)methyl]-2-[(1S,3S)-3-methylcyclohexyl]acetamide?
The InChIKey is HKARKNGAQDZRRP-GJZGRUSLSA-N. The full InChI is InChI=1S/C17H31NO2/c1-14-7-6-8-15(11-14)12-16(19)18-13-17(20)9-4-2-3-5-10-17/h14-15,20H,2-13H2,1H3,(H,18,19)/t14-,15-/m0/s1.
What are the key properties of N-[(1-hydroxycycloheptyl)methyl]-2-[(1S,3S)-3-methylcyclohexyl]acetamide?
N-[(1-hydroxycycloheptyl)methyl]-2-[(1S,3S)-3-methylcyclohexyl]acetamide has a molecular weight of 281.44 g/mol, XLogP of 3.40, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1-hydroxycycloheptyl)methyl]-2-[(1S,3S)-3-methylcyclohexyl]acetamide is sourced from PubChem (CID 99809445), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).