N-(1-cyclohepta-1,4,6-trien-1-yl-1-methoxy-3-methylbutan-2-yl)acetamide

C15H23NO2 — CID 143363033

IUPACN-(1-cyclohepta-1,4,6-trien-1-yl-1-methoxy-3-methylbutan-2-yl)acetamide
SMILESCOC(C1=CCC=CC=C1)C(NC(C)=O)C(C)C
InChIInChI=1S/C15H23NO2/c1-11(2)14(16-12(3)17)15(18-4)13-9-7-5-6-8-10-13/h5-7,9-11,14-15H,8H2,1-4H3,(H,16,17)
InChIKeyVUCVNGSWDLVPQD-UHFFFAOYSA-N
MW249.35 g/mol
LogP2.60
Rot. Bonds5

About N-(1-cyclohepta-1,4,6-trien-1-yl-1-methoxy-3-methylbutan-2-yl)acetamide

N-(1-cyclohepta-1,4,6-trien-1-yl-1-methoxy-3-methylbutan-2-yl)acetamide (PubChem CID 143363033) has the molecular formula C15H23NO2 and a molecular weight of 249.35 g/mol. Its IUPAC name is N-(1-cyclohepta-1,4,6-trien-1-yl-1-methoxy-3-methylbutan-2-yl)acetamide.

Molecular Properties

Compound NameN-(1-cyclohepta-1,4,6-trien-1-yl-1-methoxy-3-methylbutan-2-yl)acetamide
PubChem CID143363033
Molecular FormulaC15H23NO2
Molecular Weight249.35 g/mol
Exact Mass249.17
IUPAC NameN-(1-cyclohepta-1,4,6-trien-1-yl-1-methoxy-3-methylbutan-2-yl)acetamide
SMILESCOC(C1=CCC=CC=C1)C(NC(C)=O)C(C)C
InChIInChI=1S/C15H23NO2/c1-11(2)14(16-12(3)17)15(18-4)13-9-7-5-6-8-10-13/h5-7,9-11,14-15H,8H2,1-4H3,(H,16,17)
InChIKeyVUCVNGSWDLVPQD-UHFFFAOYSA-N
XLogP2.60
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.35
LogP ≤ 52.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[(1R,2R,6R)-4,6-dimethyl-2-pentan-3-yloxycyclohex-3-en-1-yl]acetamide
CID 58150806
N-[(1R,2R,6S)-4-methyl-2-pentan-3-yloxy-6-prop-2-enylcyclohex-3-en-1-yl]acetamide
CID 59076453
N-[(1R,2R,6S)-4-methyl-2-propan-2-yloxy-6-prop-2-enylcyclohex-3-en-1-yl]acetamide
CID 59076486
N-[(1R,2R,6S)-6-ethenyl-4-methyl-2-propan-2-yloxycyclohex-3-en-1-yl]acetamide
CID 59076498
N-[(1R,2R,6R)-6-ethenyl-4-methyl-2-propan-2-yloxycyclohex-3-en-1-yl]acetamide
CID 59076501
N-[(1R,6S)-4-methyl-2-propan-2-yloxy-6-prop-2-enylcyclohex-3-en-1-yl]acetamide
CID 59076604
N-[(1R,2R)-4-ethenyl-2-pentan-3-yloxycyclohex-3-en-1-yl]acetamide
CID 68344507
N-(5,6-dimethyl-6-propoxycyclohexa-2,4-dien-1-yl)propanamide
CID 142122290
N-[(1R,2R,6S)-4,6-dimethyl-2-pentan-3-yloxycyclohex-3-en-1-yl]acetamide
CID 148780004
N-[(1R,2R)-4-methyl-2-(2-methylbutoxy)cyclohex-3-en-1-yl]acetamide
CID 101135112
N-[(1R,2S)-4-methyl-2-(2-methylbutoxy)cyclohex-3-en-1-yl]acetamide
CID 101135113
1-(1-Cyclohepta-1,3,6-trien-1-yl-1-methoxy-3-methylbutan-2-yl)-3-(3,3-dimethylbutan-2-yl)urea
CID 143351016

Frequently Asked Questions

What is the IUPAC name of N-(1-cyclohepta-1,4,6-trien-1-yl-1-methoxy-3-methylbutan-2-yl)acetamide?
The IUPAC name of N-(1-cyclohepta-1,4,6-trien-1-yl-1-methoxy-3-methylbutan-2-yl)acetamide (CID 143363033) is N-(1-cyclohepta-1,4,6-trien-1-yl-1-methoxy-3-methylbutan-2-yl)acetamide.
What is the SMILES notation for N-(1-cyclohepta-1,4,6-trien-1-yl-1-methoxy-3-methylbutan-2-yl)acetamide?
The canonical SMILES for N-(1-cyclohepta-1,4,6-trien-1-yl-1-methoxy-3-methylbutan-2-yl)acetamide is COC(C1=CCC=CC=C1)C(NC(C)=O)C(C)C.
What is the InChIKey of N-(1-cyclohepta-1,4,6-trien-1-yl-1-methoxy-3-methylbutan-2-yl)acetamide?
The InChIKey is VUCVNGSWDLVPQD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23NO2/c1-11(2)14(16-12(3)17)15(18-4)13-9-7-5-6-8-10-13/h5-7,9-11,14-15H,8H2,1-4H3,(H,16,17).
What are the key properties of N-(1-cyclohepta-1,4,6-trien-1-yl-1-methoxy-3-methylbutan-2-yl)acetamide?
N-(1-cyclohepta-1,4,6-trien-1-yl-1-methoxy-3-methylbutan-2-yl)acetamide has a molecular weight of 249.35 g/mol, XLogP of 2.60, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-cyclohepta-1,4,6-trien-1-yl-1-methoxy-3-methylbutan-2-yl)acetamide is sourced from PubChem (CID 143363033), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).