N-[(2-hydroxycyclohexyl)methyl]-2-methoxy-2-phenylacetamide

C16H23NO3 — CID 64929493

IUPACN-[(2-hydroxycyclohexyl)methyl]-2-methoxy-2-phenylacetamide
SMILESCOC(C(=O)NCC1CCCCC1O)c1ccccc1
InChIInChI=1S/C16H23NO3/c1-20-15(12-7-3-2-4-8-12)16(19)17-11-13-9-5-6-10-14(13)18/h2-4,7-8,13-15,18H,5-6,9-11H2,1H3,(H,17,19)
InChIKeyQREVOHGJXUUKSJ-UHFFFAOYSA-N
MW277.36 g/mol
LogP2.04
Rot. Bonds5

About N-[(2-hydroxycyclohexyl)methyl]-2-methoxy-2-phenylacetamide

N-[(2-hydroxycyclohexyl)methyl]-2-methoxy-2-phenylacetamide (PubChem CID 64929493) has the molecular formula C16H23NO3 and a molecular weight of 277.36 g/mol. Its IUPAC name is N-[(2-hydroxycyclohexyl)methyl]-2-methoxy-2-phenylacetamide.

Molecular Properties

Compound NameN-[(2-hydroxycyclohexyl)methyl]-2-methoxy-2-phenylacetamide
PubChem CID64929493
Molecular FormulaC16H23NO3
Molecular Weight277.36 g/mol
Exact Mass277.17
IUPAC NameN-[(2-hydroxycyclohexyl)methyl]-2-methoxy-2-phenylacetamide
SMILESCOC(C(=O)NCC1CCCCC1O)c1ccccc1
InChIInChI=1S/C16H23NO3/c1-20-15(12-7-3-2-4-8-12)16(19)17-11-13-9-5-6-10-14(13)18/h2-4,7-8,13-15,18H,5-6,9-11H2,1H3,(H,17,19)
InChIKeyQREVOHGJXUUKSJ-UHFFFAOYSA-N
XLogP2.04
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.36
LogP ≤ 52.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(2S)-N-[[(1S,2R)-2-hydroxycyclopentyl]methyl]-2-phenylpropanamide
CID 129445920
2-methoxy-2-phenyl-N-(piperidin-4-ylmethyl)acetamide
CID 62098228
N-[2-(cycloheptylamino)ethyl]-2-methoxy-2-phenylacetamide;hydrochloride
CID 119621225
N-[(2-hydroxycyclopentyl)methyl]-2-methyl-3-phenylpropanamide
CID 111471021
(2R)-N-cyclohexyl-2-methoxy-2-phenylacetamide
CID 101462807
(2S)-N-cyclopropyl-2-methoxy-2-phenylacetamide
CID 958449
(2R)-2-methoxy-N-[[1-(2-methoxyethyl)piperidin-4-yl]methyl]-2-phenylacetamide
CID 97062875
2-(3-aminophenyl)-N-[(2-hydroxycyclohexyl)methyl]propanamide
CID 106591529
(2R)-N-cyclopentyl-2-[[(2S)-2-methoxy-2-phenylacetyl]amino]propanamide
CID 95303216
(2R)-N-[3-(4-hydroxypiperidin-1-yl)propyl]-2-methoxy-2-phenylacetamide
CID 110021427
(2R)-2-amino-N-[(2-hydroxycyclohexyl)methyl]propanamide
CID 79001441
(2R)-3-[[(2S)-2-methoxy-2-phenylacetyl]amino]-2-phenylpropanoic acid
CID 124724861

Frequently Asked Questions

What is the IUPAC name of N-[(2-hydroxycyclohexyl)methyl]-2-methoxy-2-phenylacetamide?
The IUPAC name of N-[(2-hydroxycyclohexyl)methyl]-2-methoxy-2-phenylacetamide (CID 64929493) is N-[(2-hydroxycyclohexyl)methyl]-2-methoxy-2-phenylacetamide.
What is the SMILES notation for N-[(2-hydroxycyclohexyl)methyl]-2-methoxy-2-phenylacetamide?
The canonical SMILES for N-[(2-hydroxycyclohexyl)methyl]-2-methoxy-2-phenylacetamide is COC(C(=O)NCC1CCCCC1O)c1ccccc1.
What is the InChIKey of N-[(2-hydroxycyclohexyl)methyl]-2-methoxy-2-phenylacetamide?
The InChIKey is QREVOHGJXUUKSJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23NO3/c1-20-15(12-7-3-2-4-8-12)16(19)17-11-13-9-5-6-10-14(13)18/h2-4,7-8,13-15,18H,5-6,9-11H2,1H3,(H,17,19).
What are the key properties of N-[(2-hydroxycyclohexyl)methyl]-2-methoxy-2-phenylacetamide?
N-[(2-hydroxycyclohexyl)methyl]-2-methoxy-2-phenylacetamide has a molecular weight of 277.36 g/mol, XLogP of 2.04, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-hydroxycyclohexyl)methyl]-2-methoxy-2-phenylacetamide is sourced from PubChem (CID 64929493), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).