N-[(E,1R)-1-(2-methylphenyl)oct-2-enyl]acetamide

C17H25NO — CID 101386838

IUPACN-[(E,1R)-1-(2-methylphenyl)oct-2-enyl]acetamide
SMILESCCCCC/C=C/[C@@H](NC(C)=O)c1ccccc1C
InChIInChI=1S/C17H25NO/c1-4-5-6-7-8-13-17(18-15(3)19)16-12-10-9-11-14(16)2/h8-13,17H,4-7H2,1-3H3,(H,18,19)/b13-8+/t17-/m1/s1
InChIKeyXYEJWVMNOHROLE-MSGBMKDASA-N
MW259.39 g/mol
LogP4.31
Rot. Bonds7

About N-[(E,1R)-1-(2-methylphenyl)oct-2-enyl]acetamide

N-[(E,1R)-1-(2-methylphenyl)oct-2-enyl]acetamide (PubChem CID 101386838) has the molecular formula C17H25NO and a molecular weight of 259.39 g/mol. Its IUPAC name is N-[(E,1R)-1-(2-methylphenyl)oct-2-enyl]acetamide.

Molecular Properties

Compound NameN-[(E,1R)-1-(2-methylphenyl)oct-2-enyl]acetamide
PubChem CID101386838
Molecular FormulaC17H25NO
Molecular Weight259.39 g/mol
Exact Mass259.19
IUPAC NameN-[(E,1R)-1-(2-methylphenyl)oct-2-enyl]acetamide
SMILESCCCCC/C=C/[C@@H](NC(C)=O)c1ccccc1C
InChIInChI=1S/C17H25NO/c1-4-5-6-7-8-13-17(18-15(3)19)16-12-10-9-11-14(16)2/h8-13,17H,4-7H2,1-3H3,(H,18,19)/b13-8+/t17-/m1/s1
InChIKeyXYEJWVMNOHROLE-MSGBMKDASA-N
XLogP4.31
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.39
LogP ≤ 54.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

(E,4R)-4-phenyldodec-5-en-2-one
CID 11357371
N-[3-(2-methylphenyl)butan-2-yl]acetamide
CID 20708272
oct-3-en-2-yl phenyl carbonate
CID 150709874
N-[(Z,2R,3S)-1,3-dihydroxyoctadec-4-en-2-yl]acetamide
CID 10759678
N-[(E,2R,3S)-1,3-dihydroxyoctadec-4-en-2-yl]acetamide
CID 10427441
N-[(E,2R,3S)-1,3-dihydroxyhexadec-4-en-2-yl]acetamide
CID 141483442
(E)-1-phenyloct-2-en-1-ol
CID 10822082
(E)-3-(benzenesulfonyl)dec-4-enoic acid
CID 69261483
1-[(E)-hept-1-enyl]-2-methylbenzene
CID 12013068
methyl (Z)-2-phenylsulfanylnon-3-enoate
CID 10934775
[(1R)-1-(2-methylphenyl)prop-2-enyl] N-butylcarbamate
CID 141398944
dimethyl 2-[(E)-1-phenylnon-2-enyl]propanedioate
CID 102138325

Frequently Asked Questions

What is the IUPAC name of N-[(E,1R)-1-(2-methylphenyl)oct-2-enyl]acetamide?
The IUPAC name of N-[(E,1R)-1-(2-methylphenyl)oct-2-enyl]acetamide (CID 101386838) is N-[(E,1R)-1-(2-methylphenyl)oct-2-enyl]acetamide.
What is the SMILES notation for N-[(E,1R)-1-(2-methylphenyl)oct-2-enyl]acetamide?
The canonical SMILES for N-[(E,1R)-1-(2-methylphenyl)oct-2-enyl]acetamide is CCCCC/C=C/[C@@H](NC(C)=O)c1ccccc1C.
What is the InChIKey of N-[(E,1R)-1-(2-methylphenyl)oct-2-enyl]acetamide?
The InChIKey is XYEJWVMNOHROLE-MSGBMKDASA-N. The full InChI is InChI=1S/C17H25NO/c1-4-5-6-7-8-13-17(18-15(3)19)16-12-10-9-11-14(16)2/h8-13,17H,4-7H2,1-3H3,(H,18,19)/b13-8+/t17-/m1/s1.
What are the key properties of N-[(E,1R)-1-(2-methylphenyl)oct-2-enyl]acetamide?
N-[(E,1R)-1-(2-methylphenyl)oct-2-enyl]acetamide has a molecular weight of 259.39 g/mol, XLogP of 4.31, 7 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(E,1R)-1-(2-methylphenyl)oct-2-enyl]acetamide is sourced from PubChem (CID 101386838), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).