N-(6,6-dimethyl-4-prop-1-enyldec-2-en-4-yl)-3,3-dimethylbutanamide

C21H39NO — CID 130177999

IUPACN-(6,6-dimethyl-4-prop-1-enyldec-2-en-4-yl)-3,3-dimethylbutanamide
SMILESCC=CC(C=CC)(CC(C)(C)CCCC)NC(=O)CC(C)(C)C
InChIInChI=1S/C21H39NO/c1-9-12-15-20(7,8)17-21(13-10-2,14-11-3)22-18(23)16-19(4,5)6/h10-11,13-14H,9,12,15-17H2,1-8H3,(H,22,23)
InChIKeyZLIMCQZORJLXQN-UHFFFAOYSA-N
MW321.55 g/mol
LogP6.04
Rot. Bonds9

About N-(6,6-dimethyl-4-prop-1-enyldec-2-en-4-yl)-3,3-dimethylbutanamide

N-(6,6-dimethyl-4-prop-1-enyldec-2-en-4-yl)-3,3-dimethylbutanamide (PubChem CID 130177999) has the molecular formula C21H39NO and a molecular weight of 321.55 g/mol. Its IUPAC name is N-(6,6-dimethyl-4-prop-1-enyldec-2-en-4-yl)-3,3-dimethylbutanamide.

Molecular Properties

Compound NameN-(6,6-dimethyl-4-prop-1-enyldec-2-en-4-yl)-3,3-dimethylbutanamide
PubChem CID130177999
Molecular FormulaC21H39NO
Molecular Weight321.55 g/mol
Exact Mass321.30
IUPAC NameN-(6,6-dimethyl-4-prop-1-enyldec-2-en-4-yl)-3,3-dimethylbutanamide
SMILESCC=CC(C=CC)(CC(C)(C)CCCC)NC(=O)CC(C)(C)C
InChIInChI=1S/C21H39NO/c1-9-12-15-20(7,8)17-21(13-10-2,14-11-3)22-18(23)16-19(4,5)6/h10-11,13-14H,9,12,15-17H2,1-8H3,(H,22,23)
InChIKeyZLIMCQZORJLXQN-UHFFFAOYSA-N
XLogP6.04
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds9
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500321.55
LogP ≤ 56.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-(6,6-dimethyl-4-prop-1-enyldec-2-en-4-yl)-3,3-dimethylbutanamide?
The IUPAC name of N-(6,6-dimethyl-4-prop-1-enyldec-2-en-4-yl)-3,3-dimethylbutanamide (CID 130177999) is N-(6,6-dimethyl-4-prop-1-enyldec-2-en-4-yl)-3,3-dimethylbutanamide.
What is the SMILES notation for N-(6,6-dimethyl-4-prop-1-enyldec-2-en-4-yl)-3,3-dimethylbutanamide?
The canonical SMILES for N-(6,6-dimethyl-4-prop-1-enyldec-2-en-4-yl)-3,3-dimethylbutanamide is CC=CC(C=CC)(CC(C)(C)CCCC)NC(=O)CC(C)(C)C.
What is the InChIKey of N-(6,6-dimethyl-4-prop-1-enyldec-2-en-4-yl)-3,3-dimethylbutanamide?
The InChIKey is ZLIMCQZORJLXQN-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H39NO/c1-9-12-15-20(7,8)17-21(13-10-2,14-11-3)22-18(23)16-19(4,5)6/h10-11,13-14H,9,12,15-17H2,1-8H3,(H,22,23).
What are the key properties of N-(6,6-dimethyl-4-prop-1-enyldec-2-en-4-yl)-3,3-dimethylbutanamide?
N-(6,6-dimethyl-4-prop-1-enyldec-2-en-4-yl)-3,3-dimethylbutanamide has a molecular weight of 321.55 g/mol, XLogP of 6.04, 9 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(6,6-dimethyl-4-prop-1-enyldec-2-en-4-yl)-3,3-dimethylbutanamide is sourced from PubChem (CID 130177999), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).