N-ethyl-N-hexa-1,3,5-trien-3-yl-3,3-dimethylbutanamide

C14H23NO — CID 123751413

IUPACN-ethyl-N-hexa-1,3,5-trien-3-yl-3,3-dimethylbutanamide
SMILESC=CC=C(C=C)N(CC)C(=O)CC(C)(C)C
InChIInChI=1S/C14H23NO/c1-7-10-12(8-2)15(9-3)13(16)11-14(4,5)6/h7-8,10H,1-2,9,11H2,3-6H3
InChIKeyCVWTYLAOVXGJNH-UHFFFAOYSA-N
MW221.34 g/mol
LogP3.53
Rot. Bonds5

About N-ethyl-N-hexa-1,3,5-trien-3-yl-3,3-dimethylbutanamide

N-ethyl-N-hexa-1,3,5-trien-3-yl-3,3-dimethylbutanamide (PubChem CID 123751413) has the molecular formula C14H23NO and a molecular weight of 221.34 g/mol. Its IUPAC name is N-ethyl-N-hexa-1,3,5-trien-3-yl-3,3-dimethylbutanamide.

Molecular Properties

Compound NameN-ethyl-N-hexa-1,3,5-trien-3-yl-3,3-dimethylbutanamide
PubChem CID123751413
Molecular FormulaC14H23NO
Molecular Weight221.34 g/mol
Exact Mass221.18
IUPAC NameN-ethyl-N-hexa-1,3,5-trien-3-yl-3,3-dimethylbutanamide
SMILESC=CC=C(C=C)N(CC)C(=O)CC(C)(C)C
InChIInChI=1S/C14H23NO/c1-7-10-12(8-2)15(9-3)13(16)11-14(4,5)6/h7-8,10H,1-2,9,11H2,3-6H3
InChIKeyCVWTYLAOVXGJNH-UHFFFAOYSA-N
XLogP3.53
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.34
LogP ≤ 53.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

2,2-dimethyl-N,N-bis(prop-2-enyl)butanamide
CID 4628432
1-(2,5-Dihydropyrrol-1-yl)-3,3-dimethylbutan-1-one
CID 68152170
N-but-2-en-2-yl-N,2,2-trimethylbutanamide
CID 123139486
N-hexa-1,3,5-trien-3-yl-N,2-dimethylpropanamide
CID 123264155
N-ethyl-N-penta-2,4-dien-2-ylbutanamide
CID 123333115
N,3,3-trimethyl-N-penta-1,3-dien-3-ylbutanamide
CID 123343650
N-but-2-en-2-yl-N-ethyl-3,3-dimethylbutanamide
CID 123549027
N-hexa-1,3,5-trien-3-yl-N,3,3-trimethylbutanamide
CID 123593342
2-ethyl-N-hexa-1,3,5-trien-3-yl-N-methylbutanamide
CID 123902621
N-hexa-1,3,5-trien-3-yl-N-methylbutanamide
CID 123952620
N-hepta-1,3,5-trien-3-yl-N,3,3-trimethylbutanamide
CID 123964635
N-but-2-en-2-yl-N,3,3-trimethylbutanamide
CID 124000477

Frequently Asked Questions

What is the IUPAC name of N-ethyl-N-hexa-1,3,5-trien-3-yl-3,3-dimethylbutanamide?
The IUPAC name of N-ethyl-N-hexa-1,3,5-trien-3-yl-3,3-dimethylbutanamide (CID 123751413) is N-ethyl-N-hexa-1,3,5-trien-3-yl-3,3-dimethylbutanamide.
What is the SMILES notation for N-ethyl-N-hexa-1,3,5-trien-3-yl-3,3-dimethylbutanamide?
The canonical SMILES for N-ethyl-N-hexa-1,3,5-trien-3-yl-3,3-dimethylbutanamide is C=CC=C(C=C)N(CC)C(=O)CC(C)(C)C.
What is the InChIKey of N-ethyl-N-hexa-1,3,5-trien-3-yl-3,3-dimethylbutanamide?
The InChIKey is CVWTYLAOVXGJNH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23NO/c1-7-10-12(8-2)15(9-3)13(16)11-14(4,5)6/h7-8,10H,1-2,9,11H2,3-6H3.
What are the key properties of N-ethyl-N-hexa-1,3,5-trien-3-yl-3,3-dimethylbutanamide?
N-ethyl-N-hexa-1,3,5-trien-3-yl-3,3-dimethylbutanamide has a molecular weight of 221.34 g/mol, XLogP of 3.53, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-N-hexa-1,3,5-trien-3-yl-3,3-dimethylbutanamide is sourced from PubChem (CID 123751413), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).