N-[2-(4-methylcyclohexa-2,4-dien-1-yl)oxyethyl]acetamide

C11H17NO2 — CID 91252463

IUPACN-[2-(4-methylcyclohexa-2,4-dien-1-yl)oxyethyl]acetamide
SMILESCC(=O)NCCOC1C=CC(C)=CC1
InChIInChI=1S/C11H17NO2/c1-9-3-5-11(6-4-9)14-8-7-12-10(2)13/h3-5,11H,6-8H2,1-2H3,(H,12,13)
InChIKeyYVMDGLQAQLIRGA-UHFFFAOYSA-N
MW195.26 g/mol
LogP1.41
Rot. Bonds4

About N-[2-(4-methylcyclohexa-2,4-dien-1-yl)oxyethyl]acetamide

N-[2-(4-methylcyclohexa-2,4-dien-1-yl)oxyethyl]acetamide (PubChem CID 91252463) has the molecular formula C11H17NO2 and a molecular weight of 195.26 g/mol. Its IUPAC name is N-[2-(4-methylcyclohexa-2,4-dien-1-yl)oxyethyl]acetamide.

Molecular Properties

Compound NameN-[2-(4-methylcyclohexa-2,4-dien-1-yl)oxyethyl]acetamide
PubChem CID91252463
Molecular FormulaC11H17NO2
Molecular Weight195.26 g/mol
Exact Mass195.13
IUPAC NameN-[2-(4-methylcyclohexa-2,4-dien-1-yl)oxyethyl]acetamide
SMILESCC(=O)NCCOC1C=CC(C)=CC1
InChIInChI=1S/C11H17NO2/c1-9-3-5-11(6-4-9)14-8-7-12-10(2)13/h3-5,11H,6-8H2,1-2H3,(H,12,13)
InChIKeyYVMDGLQAQLIRGA-UHFFFAOYSA-N
XLogP1.41
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.26
LogP ≤ 51.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

Bisacetamidomethylpyran
CID 129648035
N-[(1R,6R)-4-bromo-6-pentan-3-yloxycyclohexa-2,4-dien-1-yl]acetamide
CID 66921867
N-[(1R,6S)-4-bromo-6-pentan-3-yloxycyclohexa-2,4-dien-1-yl]acetamide
CID 66921868
N-(6-acetamido-6-propan-2-yloxycyclohexa-2,4-dien-1-yl)acetamide
CID 67816039
N-(4-bromo-6-pentan-3-yloxycyclohexa-2,4-dien-1-yl)acetamide
CID 77217200
N-(3-aminopropyl)-3-[(3S)-3-methoxycyclohexa-1,5-dien-1-yl]prop-2-ynamide
CID 89535895
2-[1-(2-methoxycyclohexa-1,5-dien-1-yl)ethoxy]-N-methylethanamine
CID 89688709
N-methyl-2-(4-methylcyclohexa-2,4-dien-1-yl)oxyethanamine
CID 123439096
O-(2-acetamidoethyl) (2E,4E)-2,5-dimethylocta-2,4-dienethioate
CID 135389708
O-(2-acetamidoethyl) (2E,4E)-2-methylocta-2,4-dienethioate
CID 135389861
2-(3-ethylcyclohexa-2,4-dien-1-yl)oxy-N-(2-hydroxyethyl)acetamide
CID 139400788
N-[3-(1,4-dimethylcyclohexa-2,4-dien-1-yl)oxypropyl]propanamide
CID 142103653

Frequently Asked Questions

What is the IUPAC name of N-[2-(4-methylcyclohexa-2,4-dien-1-yl)oxyethyl]acetamide?
The IUPAC name of N-[2-(4-methylcyclohexa-2,4-dien-1-yl)oxyethyl]acetamide (CID 91252463) is N-[2-(4-methylcyclohexa-2,4-dien-1-yl)oxyethyl]acetamide.
What is the SMILES notation for N-[2-(4-methylcyclohexa-2,4-dien-1-yl)oxyethyl]acetamide?
The canonical SMILES for N-[2-(4-methylcyclohexa-2,4-dien-1-yl)oxyethyl]acetamide is CC(=O)NCCOC1C=CC(C)=CC1.
What is the InChIKey of N-[2-(4-methylcyclohexa-2,4-dien-1-yl)oxyethyl]acetamide?
The InChIKey is YVMDGLQAQLIRGA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17NO2/c1-9-3-5-11(6-4-9)14-8-7-12-10(2)13/h3-5,11H,6-8H2,1-2H3,(H,12,13).
What are the key properties of N-[2-(4-methylcyclohexa-2,4-dien-1-yl)oxyethyl]acetamide?
N-[2-(4-methylcyclohexa-2,4-dien-1-yl)oxyethyl]acetamide has a molecular weight of 195.26 g/mol, XLogP of 1.41, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-methylcyclohexa-2,4-dien-1-yl)oxyethyl]acetamide is sourced from PubChem (CID 91252463), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).