N-(cyclohex-3-en-1-ylmethyl)-2-hydroxy-2-(3-methoxyphenyl)acetamide

C16H21NO3 — CID 84594957

IUPACN-(cyclohex-3-en-1-ylmethyl)-2-hydroxy-2-(3-methoxyphenyl)acetamide
SMILESCOc1cccc(C(O)C(=O)NCC2CC=CCC2)c1
InChIInChI=1S/C16H21NO3/c1-20-14-9-5-8-13(10-14)15(18)16(19)17-11-12-6-3-2-4-7-12/h2-3,5,8-10,12,15,18H,4,6-7,11H2,1H3,(H,17,19)
InChIKeyZNVAHNWCDOHFFY-UHFFFAOYSA-N
MW275.35 g/mol
LogP2.20
Rot. Bonds5

About N-(cyclohex-3-en-1-ylmethyl)-2-hydroxy-2-(3-methoxyphenyl)acetamide

N-(cyclohex-3-en-1-ylmethyl)-2-hydroxy-2-(3-methoxyphenyl)acetamide (PubChem CID 84594957) has the molecular formula C16H21NO3 and a molecular weight of 275.35 g/mol. Its IUPAC name is N-(cyclohex-3-en-1-ylmethyl)-2-hydroxy-2-(3-methoxyphenyl)acetamide.

Molecular Properties

Compound NameN-(cyclohex-3-en-1-ylmethyl)-2-hydroxy-2-(3-methoxyphenyl)acetamide
PubChem CID84594957
Molecular FormulaC16H21NO3
Molecular Weight275.35 g/mol
Exact Mass275.15
IUPAC NameN-(cyclohex-3-en-1-ylmethyl)-2-hydroxy-2-(3-methoxyphenyl)acetamide
SMILESCOc1cccc(C(O)C(=O)NCC2CC=CCC2)c1
InChIInChI=1S/C16H21NO3/c1-20-14-9-5-8-13(10-14)15(18)16(19)17-11-12-6-3-2-4-7-12/h2-3,5,8-10,12,15,18H,4,6-7,11H2,1H3,(H,17,19)
InChIKeyZNVAHNWCDOHFFY-UHFFFAOYSA-N
XLogP2.20
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.35
LogP ≤ 52.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

1-(cyclopropylmethyl)-3-[2-hydroxy-2-(3-methoxyphenyl)ethyl]urea
CID 111115133
2-(3-chlorophenyl)-2-hydroxy-N-[(7-methoxy-1,2,3,4-tetrahydronaphthalen-2-yl)methyl]acetamide
CID 15718615
(2S)-2-hydroxy-2-(3-methoxyphenyl)acetohydrazide
CID 124673307
N-(cyclopropylmethyl)-2-(3-methoxyphenyl)-3-nitro-3-oxopropanamide
CID 129239102
1-(cyclohex-3-en-1-ylmethyl)-3-[1-(4-methoxyphenyl)propyl]urea
CID 60593300
2-hydroxy-N-[2-(3-methoxyphenyl)ethyl]-2-phenylacetamide
CID 111536720
N-(cyclopropylmethyl)-2-[[(1R)-1-(3-methoxyphenyl)ethyl]amino]acetamide
CID 81373337
cyclohex-3-en-1-yl-(3-methoxyphenyl)methanone
CID 175706022
(2R)-2-[[(1R)-cyclohex-3-en-1-yl]methylamino]-2-phenylacetamide
CID 94209163
methyl 2-(cyclohex-3-en-1-ylmethylamino)-2-oxoacetate
CID 112617086
1-(cyclobutylmethyl)-2-[2-hydroxy-2-(3-methoxyphenyl)ethyl]guanidine
CID 111803150
2-(cyclopent-3-en-1-ylamino)-1-(3-methoxyphenyl)ethanol
CID 113475226

Frequently Asked Questions

What is the IUPAC name of N-(cyclohex-3-en-1-ylmethyl)-2-hydroxy-2-(3-methoxyphenyl)acetamide?
The IUPAC name of N-(cyclohex-3-en-1-ylmethyl)-2-hydroxy-2-(3-methoxyphenyl)acetamide (CID 84594957) is N-(cyclohex-3-en-1-ylmethyl)-2-hydroxy-2-(3-methoxyphenyl)acetamide.
What is the SMILES notation for N-(cyclohex-3-en-1-ylmethyl)-2-hydroxy-2-(3-methoxyphenyl)acetamide?
The canonical SMILES for N-(cyclohex-3-en-1-ylmethyl)-2-hydroxy-2-(3-methoxyphenyl)acetamide is COc1cccc(C(O)C(=O)NCC2CC=CCC2)c1.
What is the InChIKey of N-(cyclohex-3-en-1-ylmethyl)-2-hydroxy-2-(3-methoxyphenyl)acetamide?
The InChIKey is ZNVAHNWCDOHFFY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21NO3/c1-20-14-9-5-8-13(10-14)15(18)16(19)17-11-12-6-3-2-4-7-12/h2-3,5,8-10,12,15,18H,4,6-7,11H2,1H3,(H,17,19).
What are the key properties of N-(cyclohex-3-en-1-ylmethyl)-2-hydroxy-2-(3-methoxyphenyl)acetamide?
N-(cyclohex-3-en-1-ylmethyl)-2-hydroxy-2-(3-methoxyphenyl)acetamide has a molecular weight of 275.35 g/mol, XLogP of 2.20, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(cyclohex-3-en-1-ylmethyl)-2-hydroxy-2-(3-methoxyphenyl)acetamide is sourced from PubChem (CID 84594957), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).