2-cycloheptyl-N-[2-hydroxy-2-(4-methoxyphenyl)ethyl]acetamide

C18H27NO3 — CID 111829496

IUPAC2-cycloheptyl-N-[2-hydroxy-2-(4-methoxyphenyl)ethyl]acetamide
SMILESCOc1ccc(C(O)CNC(=O)CC2CCCCCC2)cc1
InChIInChI=1S/C18H27NO3/c1-22-16-10-8-15(9-11-16)17(20)13-19-18(21)12-14-6-4-2-3-5-7-14/h8-11,14,17,20H,2-7,12-13H2,1H3,(H,19,21)
InChIKeyBUHWOFPJGANOAW-UHFFFAOYSA-N
MW305.42 g/mol
LogP3.21
Rot. Bonds6

About 2-cycloheptyl-N-[2-hydroxy-2-(4-methoxyphenyl)ethyl]acetamide

2-cycloheptyl-N-[2-hydroxy-2-(4-methoxyphenyl)ethyl]acetamide (PubChem CID 111829496) has the molecular formula C18H27NO3 and a molecular weight of 305.42 g/mol. Its IUPAC name is 2-cycloheptyl-N-[2-hydroxy-2-(4-methoxyphenyl)ethyl]acetamide.

Molecular Properties

Compound Name2-cycloheptyl-N-[2-hydroxy-2-(4-methoxyphenyl)ethyl]acetamide
PubChem CID111829496
Molecular FormulaC18H27NO3
Molecular Weight305.42 g/mol
Exact Mass305.20
IUPAC Name2-cycloheptyl-N-[2-hydroxy-2-(4-methoxyphenyl)ethyl]acetamide
SMILESCOc1ccc(C(O)CNC(=O)CC2CCCCCC2)cc1
InChIInChI=1S/C18H27NO3/c1-22-16-10-8-15(9-11-16)17(20)13-19-18(21)12-14-6-4-2-3-5-7-14/h8-11,14,17,20H,2-7,12-13H2,1H3,(H,19,21)
InChIKeyBUHWOFPJGANOAW-UHFFFAOYSA-N
XLogP3.21
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.42
LogP ≤ 53.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(2R)-2-hydroxy-2-(4-methoxyphenyl)ethyl]-2-(1-propan-2-ylpiperidin-4-yl)acetamide
CID 97202298
2-cyclopentyl-N-[(4-methoxyphenyl)-phenylmethyl]acetamide
CID 18166406
[2-hydroxy-2-(4-methoxyphenyl)ethyl]urea
CID 137321016
N-ethyl-2-[[2-hydroxy-2-(4-methoxyphenyl)ethyl]amino]acetamide
CID 54938253
1-amino-N-[2-hydroxy-2-(4-methoxyphenyl)ethyl]cyclohexane-1-carboxamide;hydrochloride
CID 119293242
2-cyclopentyl-N-[2-(dimethylamino)-2-(3-methoxyphenyl)ethyl]acetamide
CID 51186688
2-(1-ethylpiperidin-4-yl)-N-[2-hydroxy-2-(3-methoxyphenyl)ethyl]acetamide
CID 72893155
4-amino-N-[2-hydroxy-2-(4-methoxyphenyl)ethyl]butanamide;hydrochloride
CID 119293246
2-cycloheptyl-N-[(2S)-2-hydroxypropyl]acetamide
CID 103884693
2-(azepan-1-yl)-N-[2-hydroxy-2-(4-methoxyphenyl)ethyl]propanamide
CID 111430562
2-(cyclobutylamino)-1-(4-methoxyphenyl)ethanol
CID 62414370
(2S,4S)-N-[2-hydroxy-2-(4-methoxyphenyl)ethyl]-2-methylpiperidine-4-carboxamide
CID 120623267

Frequently Asked Questions

What is the IUPAC name of 2-cycloheptyl-N-[2-hydroxy-2-(4-methoxyphenyl)ethyl]acetamide?
The IUPAC name of 2-cycloheptyl-N-[2-hydroxy-2-(4-methoxyphenyl)ethyl]acetamide (CID 111829496) is 2-cycloheptyl-N-[2-hydroxy-2-(4-methoxyphenyl)ethyl]acetamide.
What is the SMILES notation for 2-cycloheptyl-N-[2-hydroxy-2-(4-methoxyphenyl)ethyl]acetamide?
The canonical SMILES for 2-cycloheptyl-N-[2-hydroxy-2-(4-methoxyphenyl)ethyl]acetamide is COc1ccc(C(O)CNC(=O)CC2CCCCCC2)cc1.
What is the InChIKey of 2-cycloheptyl-N-[2-hydroxy-2-(4-methoxyphenyl)ethyl]acetamide?
The InChIKey is BUHWOFPJGANOAW-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H27NO3/c1-22-16-10-8-15(9-11-16)17(20)13-19-18(21)12-14-6-4-2-3-5-7-14/h8-11,14,17,20H,2-7,12-13H2,1H3,(H,19,21).
What are the key properties of 2-cycloheptyl-N-[2-hydroxy-2-(4-methoxyphenyl)ethyl]acetamide?
2-cycloheptyl-N-[2-hydroxy-2-(4-methoxyphenyl)ethyl]acetamide has a molecular weight of 305.42 g/mol, XLogP of 3.21, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cycloheptyl-N-[2-hydroxy-2-(4-methoxyphenyl)ethyl]acetamide is sourced from PubChem (CID 111829496), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).