N-(4-phenylbutan-2-yl)hexa-2,4-dienamide

C16H21NO — CID 78784970

IUPACN-(4-phenylbutan-2-yl)hexa-2,4-dienamide
SMILESCC=CC=CC(=O)NC(C)CCc1ccccc1
InChIInChI=1S/C16H21NO/c1-3-4-6-11-16(18)17-14(2)12-13-15-9-7-5-8-10-15/h3-11,14H,12-13H2,1-2H3,(H,17,18)
InChIKeyHLYVQQLTBMOOCB-UHFFFAOYSA-N
MW243.35 g/mol
LogP3.26
Rot. Bonds6

About N-(4-phenylbutan-2-yl)hexa-2,4-dienamide

N-(4-phenylbutan-2-yl)hexa-2,4-dienamide (PubChem CID 78784970) has the molecular formula C16H21NO and a molecular weight of 243.35 g/mol. Its IUPAC name is N-(4-phenylbutan-2-yl)hexa-2,4-dienamide.

Molecular Properties

Compound NameN-(4-phenylbutan-2-yl)hexa-2,4-dienamide
PubChem CID78784970
Molecular FormulaC16H21NO
Molecular Weight243.35 g/mol
Exact Mass243.16
IUPAC NameN-(4-phenylbutan-2-yl)hexa-2,4-dienamide
SMILESCC=CC=CC(=O)NC(C)CCc1ccccc1
InChIInChI=1S/C16H21NO/c1-3-4-6-11-16(18)17-14(2)12-13-15-9-7-5-8-10-15/h3-11,14H,12-13H2,1-2H3,(H,17,18)
InChIKeyHLYVQQLTBMOOCB-UHFFFAOYSA-N
XLogP3.26
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.35
LogP ≤ 53.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'polyene', 'substructure': 'N/A'}

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Related Compounds

(2E,4E)-N-benzylhexa-2,4-dienamide
CID 15743128
(E)-3-(4-bromophenyl)-N-[(2R)-4-phenylbutan-2-yl]prop-2-enamide
CID 1001333
N-(4-hydroxybutan-2-yl)hexa-2,4-dienamide
CID 115283586
N-[(2S)-4-phenylbutan-2-yl]acetamide
CID 6933208
(E)-3-(2-nitrophenyl)-N-[(2S)-4-phenylbutan-2-yl]prop-2-enamide
CID 889264
(Z)-3-(2-nitrophenyl)-N-[(2S)-4-phenylbutan-2-yl]prop-2-enamide
CID 2186661
(E)-3-(4-nitrophenyl)-N-[(2S)-4-phenylbutan-2-yl]prop-2-enamide
CID 51417547
N,N'-bis[(2R)-4-phenylbutan-2-yl]hexanediamide
CID 7406180
(E)-3-[4-(difluoromethoxy)phenyl]-N-[(2R)-4-phenylbutan-2-yl]prop-2-enamide
CID 7958328
N,N'-bis[(2S)-4-phenylbutan-2-yl]butanediamide
CID 7409928
(E)-3-(3-chlorophenyl)-N-(4-phenylbutan-2-yl)prop-2-enamide
CID 6241128
3-(2,4-dichlorophenyl)-N-(4-phenylbutan-2-yl)prop-2-enamide
CID 2931488

Frequently Asked Questions

What is the IUPAC name of N-(4-phenylbutan-2-yl)hexa-2,4-dienamide?
The IUPAC name of N-(4-phenylbutan-2-yl)hexa-2,4-dienamide (CID 78784970) is N-(4-phenylbutan-2-yl)hexa-2,4-dienamide.
What is the SMILES notation for N-(4-phenylbutan-2-yl)hexa-2,4-dienamide?
The canonical SMILES for N-(4-phenylbutan-2-yl)hexa-2,4-dienamide is CC=CC=CC(=O)NC(C)CCc1ccccc1.
What is the InChIKey of N-(4-phenylbutan-2-yl)hexa-2,4-dienamide?
The InChIKey is HLYVQQLTBMOOCB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21NO/c1-3-4-6-11-16(18)17-14(2)12-13-15-9-7-5-8-10-15/h3-11,14H,12-13H2,1-2H3,(H,17,18).
What are the key properties of N-(4-phenylbutan-2-yl)hexa-2,4-dienamide?
N-(4-phenylbutan-2-yl)hexa-2,4-dienamide has a molecular weight of 243.35 g/mol, XLogP of 3.26, 6 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-phenylbutan-2-yl)hexa-2,4-dienamide is sourced from PubChem (CID 78784970), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).