N-hepta-1,3,5-trien-3-yl-N,3,3-trimethylbutanamide

C14H23NO — CID 123964635

IUPACN-hepta-1,3,5-trien-3-yl-N,3,3-trimethylbutanamide
SMILESC=CC(=CC=CC)N(C)C(=O)CC(C)(C)C
InChIInChI=1S/C14H23NO/c1-7-9-10-12(8-2)15(6)13(16)11-14(3,4)5/h7-10H,2,11H2,1,3-6H3
InChIKeyOFNDZTPCSVEHGU-UHFFFAOYSA-N
MW221.34 g/mol
LogP3.53
Rot. Bonds4

About N-hepta-1,3,5-trien-3-yl-N,3,3-trimethylbutanamide

N-hepta-1,3,5-trien-3-yl-N,3,3-trimethylbutanamide (PubChem CID 123964635) has the molecular formula C14H23NO and a molecular weight of 221.34 g/mol. Its IUPAC name is N-hepta-1,3,5-trien-3-yl-N,3,3-trimethylbutanamide.

Molecular Properties

Compound NameN-hepta-1,3,5-trien-3-yl-N,3,3-trimethylbutanamide
PubChem CID123964635
Molecular FormulaC14H23NO
Molecular Weight221.34 g/mol
Exact Mass221.18
IUPAC NameN-hepta-1,3,5-trien-3-yl-N,3,3-trimethylbutanamide
SMILESC=CC(=CC=CC)N(C)C(=O)CC(C)(C)C
InChIInChI=1S/C14H23NO/c1-7-9-10-12(8-2)15(6)13(16)11-14(3,4)5/h7-10H,2,11H2,1,3-6H3
InChIKeyOFNDZTPCSVEHGU-UHFFFAOYSA-N
XLogP3.53
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
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

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-hexa-1,3,5-trien-3-yl-3,3-dimethylbutanamide
CID 123471211
N-hexa-1,3,5-trien-3-yl-2,2-dimethylbutanamide
CID 123536010
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
N,2-dimethyl-N-penta-2,4-dien-2-ylpropanamide
CID 123671236
N-ethyl-N-hexa-1,3,5-trien-3-yl-3,3-dimethylbutanamide
CID 123751413
2-ethyl-N-hexa-1,3,5-trien-3-yl-N-methylbutanamide
CID 123902621
N-but-2-en-2-yl-N,3-dimethylbutanamide
CID 123906611

Frequently Asked Questions

What is the IUPAC name of N-hepta-1,3,5-trien-3-yl-N,3,3-trimethylbutanamide?
The IUPAC name of N-hepta-1,3,5-trien-3-yl-N,3,3-trimethylbutanamide (CID 123964635) is N-hepta-1,3,5-trien-3-yl-N,3,3-trimethylbutanamide.
What is the SMILES notation for N-hepta-1,3,5-trien-3-yl-N,3,3-trimethylbutanamide?
The canonical SMILES for N-hepta-1,3,5-trien-3-yl-N,3,3-trimethylbutanamide is C=CC(=CC=CC)N(C)C(=O)CC(C)(C)C.
What is the InChIKey of N-hepta-1,3,5-trien-3-yl-N,3,3-trimethylbutanamide?
The InChIKey is OFNDZTPCSVEHGU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23NO/c1-7-9-10-12(8-2)15(6)13(16)11-14(3,4)5/h7-10H,2,11H2,1,3-6H3.
What are the key properties of N-hepta-1,3,5-trien-3-yl-N,3,3-trimethylbutanamide?
N-hepta-1,3,5-trien-3-yl-N,3,3-trimethylbutanamide has a molecular weight of 221.34 g/mol, XLogP of 3.53, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-hepta-1,3,5-trien-3-yl-N,3,3-trimethylbutanamide is sourced from PubChem (CID 123964635), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).