N-(3,6-dimethyl-4-propan-2-ylidene-5-prop-1-en-2-ylhepta-2,5-dien-2-yl)-2-methylpropanamide

C19H31NO — CID 57220120

IUPACN-(3,6-dimethyl-4-propan-2-ylidene-5-prop-1-en-2-ylhepta-2,5-dien-2-yl)-2-methylpropanamide
SMILESC=C(C)C(=C(C)C)C(=C(C)C)C(C)=C(C)NC(=O)C(C)C
InChIInChI=1S/C19H31NO/c1-11(2)17(12(3)4)18(13(5)6)15(9)16(10)20-19(21)14(7)8/h14H,1H2,2-10H3,(H,20,21)
InChIKeyUAIAJBBJKGIVCN-UHFFFAOYSA-N
MW289.46 g/mol
LogP5.30
Rot. Bonds5

About N-(3,6-dimethyl-4-propan-2-ylidene-5-prop-1-en-2-ylhepta-2,5-dien-2-yl)-2-methylpropanamide

N-(3,6-dimethyl-4-propan-2-ylidene-5-prop-1-en-2-ylhepta-2,5-dien-2-yl)-2-methylpropanamide (PubChem CID 57220120) has the molecular formula C19H31NO and a molecular weight of 289.46 g/mol. Its IUPAC name is N-(3,6-dimethyl-4-propan-2-ylidene-5-prop-1-en-2-ylhepta-2,5-dien-2-yl)-2-methylpropanamide.

Molecular Properties

Compound NameN-(3,6-dimethyl-4-propan-2-ylidene-5-prop-1-en-2-ylhepta-2,5-dien-2-yl)-2-methylpropanamide
PubChem CID57220120
Molecular FormulaC19H31NO
Molecular Weight289.46 g/mol
Exact Mass289.24
IUPAC NameN-(3,6-dimethyl-4-propan-2-ylidene-5-prop-1-en-2-ylhepta-2,5-dien-2-yl)-2-methylpropanamide
SMILESC=C(C)C(=C(C)C)C(=C(C)C)C(C)=C(C)NC(=O)C(C)C
InChIInChI=1S/C19H31NO/c1-11(2)17(12(3)4)18(13(5)6)15(9)16(10)20-19(21)14(7)8/h14H,1H2,2-10H3,(H,20,21)
InChIKeyUAIAJBBJKGIVCN-UHFFFAOYSA-N
XLogP5.30
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500289.46
LogP ≤ 55.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-(3,6-dimethyl-4-propan-2-ylidene-5-prop-1-en-2-ylhepta-2,5-dien-2-yl)-2-methylpropanamide?
The IUPAC name of N-(3,6-dimethyl-4-propan-2-ylidene-5-prop-1-en-2-ylhepta-2,5-dien-2-yl)-2-methylpropanamide (CID 57220120) is N-(3,6-dimethyl-4-propan-2-ylidene-5-prop-1-en-2-ylhepta-2,5-dien-2-yl)-2-methylpropanamide.
What is the SMILES notation for N-(3,6-dimethyl-4-propan-2-ylidene-5-prop-1-en-2-ylhepta-2,5-dien-2-yl)-2-methylpropanamide?
The canonical SMILES for N-(3,6-dimethyl-4-propan-2-ylidene-5-prop-1-en-2-ylhepta-2,5-dien-2-yl)-2-methylpropanamide is C=C(C)C(=C(C)C)C(=C(C)C)C(C)=C(C)NC(=O)C(C)C.
What is the InChIKey of N-(3,6-dimethyl-4-propan-2-ylidene-5-prop-1-en-2-ylhepta-2,5-dien-2-yl)-2-methylpropanamide?
The InChIKey is UAIAJBBJKGIVCN-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H31NO/c1-11(2)17(12(3)4)18(13(5)6)15(9)16(10)20-19(21)14(7)8/h14H,1H2,2-10H3,(H,20,21).
What are the key properties of N-(3,6-dimethyl-4-propan-2-ylidene-5-prop-1-en-2-ylhepta-2,5-dien-2-yl)-2-methylpropanamide?
N-(3,6-dimethyl-4-propan-2-ylidene-5-prop-1-en-2-ylhepta-2,5-dien-2-yl)-2-methylpropanamide has a molecular weight of 289.46 g/mol, XLogP of 5.30, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,6-dimethyl-4-propan-2-ylidene-5-prop-1-en-2-ylhepta-2,5-dien-2-yl)-2-methylpropanamide is sourced from PubChem (CID 57220120), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).