N-[(Z)-but-2-en-2-yl]-3,7-dimethyloctanamide

C14H27NO — CID 151337531

IUPACN-[(Z)-but-2-en-2-yl]-3,7-dimethyloctanamide
SMILESC/C=C(/C)NC(=O)CC(C)CCCC(C)C
InChIInChI=1S/C14H27NO/c1-6-13(5)15-14(16)10-12(4)9-7-8-11(2)3/h6,11-12H,7-10H2,1-5H3,(H,15,16)/b13-6-
InChIKeyOJTFDCWIHFIYMV-MLPAPPSSSA-N
MW225.38 g/mol
LogP3.88
Rot. Bonds7

About N-[(Z)-but-2-en-2-yl]-3,7-dimethyloctanamide

N-[(Z)-but-2-en-2-yl]-3,7-dimethyloctanamide (PubChem CID 151337531) has the molecular formula C14H27NO and a molecular weight of 225.38 g/mol. Its IUPAC name is N-[(Z)-but-2-en-2-yl]-3,7-dimethyloctanamide.

Molecular Properties

Compound NameN-[(Z)-but-2-en-2-yl]-3,7-dimethyloctanamide
PubChem CID151337531
Molecular FormulaC14H27NO
Molecular Weight225.38 g/mol
Exact Mass225.21
IUPAC NameN-[(Z)-but-2-en-2-yl]-3,7-dimethyloctanamide
SMILESC/C=C(/C)NC(=O)CC(C)CCCC(C)C
InChIInChI=1S/C14H27NO/c1-6-13(5)15-14(16)10-12(4)9-7-8-11(2)3/h6,11-12H,7-10H2,1-5H3,(H,15,16)/b13-6-
InChIKeyOJTFDCWIHFIYMV-MLPAPPSSSA-N
XLogP3.88
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.38
LogP ≤ 53.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of N-[(Z)-but-2-en-2-yl]-3,7-dimethyloctanamide?
The IUPAC name of N-[(Z)-but-2-en-2-yl]-3,7-dimethyloctanamide (CID 151337531) is N-[(Z)-but-2-en-2-yl]-3,7-dimethyloctanamide.
What is the SMILES notation for N-[(Z)-but-2-en-2-yl]-3,7-dimethyloctanamide?
The canonical SMILES for N-[(Z)-but-2-en-2-yl]-3,7-dimethyloctanamide is C/C=C(/C)NC(=O)CC(C)CCCC(C)C.
What is the InChIKey of N-[(Z)-but-2-en-2-yl]-3,7-dimethyloctanamide?
The InChIKey is OJTFDCWIHFIYMV-MLPAPPSSSA-N. The full InChI is InChI=1S/C14H27NO/c1-6-13(5)15-14(16)10-12(4)9-7-8-11(2)3/h6,11-12H,7-10H2,1-5H3,(H,15,16)/b13-6-.
What are the key properties of N-[(Z)-but-2-en-2-yl]-3,7-dimethyloctanamide?
N-[(Z)-but-2-en-2-yl]-3,7-dimethyloctanamide has a molecular weight of 225.38 g/mol, XLogP of 3.88, 7 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(Z)-but-2-en-2-yl]-3,7-dimethyloctanamide is sourced from PubChem (CID 151337531), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).