N-butyl-4-phenylbut-2-enamide

C14H19NO — CID 154634439

IUPACN-butyl-4-phenylbut-2-enamide
SMILESCCCCNC(=O)C=CCc1ccccc1
InChIInChI=1S/C14H19NO/c1-2-3-12-15-14(16)11-7-10-13-8-5-4-6-9-13/h4-9,11H,2-3,10,12H2,1H3,(H,15,16)
InChIKeyALGUPIKRLYGKBL-UHFFFAOYSA-N
MW217.31 g/mol
LogP2.70
Rot. Bonds6

About N-butyl-4-phenylbut-2-enamide

N-butyl-4-phenylbut-2-enamide (PubChem CID 154634439) has the molecular formula C14H19NO and a molecular weight of 217.31 g/mol. Its IUPAC name is N-butyl-4-phenylbut-2-enamide.

Molecular Properties

Compound NameN-butyl-4-phenylbut-2-enamide
PubChem CID154634439
Molecular FormulaC14H19NO
Molecular Weight217.31 g/mol
Exact Mass217.15
IUPAC NameN-butyl-4-phenylbut-2-enamide
SMILESCCCCNC(=O)C=CCc1ccccc1
InChIInChI=1S/C14H19NO/c1-2-3-12-15-14(16)11-7-10-13-8-5-4-6-9-13/h4-9,11H,2-3,10,12H2,1H3,(H,15,16)
InChIKeyALGUPIKRLYGKBL-UHFFFAOYSA-N
XLogP2.70
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.31
LogP ≤ 52.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

4-phenyl-N-propylbut-2-enamide
CID 154634438
(2E,6Z)-N-decyl-7-phenylhepta-2,6-dienamide
CID 70372352
(E)-N-butyldec-2-enamide
CID 160628271
(E)-N-butyl-3-quinolin-2-ylprop-2-enamide
CID 30282284
7-phenyl-N-propylhepta-2,4-dienamide
CID 123644978
S-[3-(octylamino)-3-oxoprop-1-enyl] 4-phenylbut-3-enethioate
CID 54306818
N-butyl-2-methyl-3-phenylpropanamide
CID 70830385
(2E,4E)-N-(2-methylpropyl)-6-phenylhexa-2,4-dienamide
CID 5281870
(2E,5E)-1-phenylhepta-2,5-dien-4-one
CID 102247041
(Z)-4-(butylamino)-4-oxobut-2-enoic acid;2-(9H-fluoren-9-yl)acetic acid
CID 70196036
N-butyl-N'-phenyloxamide
CID 2290889
(E)-N-butyl-6-chlorohex-2-enamide
CID 154707012

Frequently Asked Questions

What is the IUPAC name of N-butyl-4-phenylbut-2-enamide?
The IUPAC name of N-butyl-4-phenylbut-2-enamide (CID 154634439) is N-butyl-4-phenylbut-2-enamide.
What is the SMILES notation for N-butyl-4-phenylbut-2-enamide?
The canonical SMILES for N-butyl-4-phenylbut-2-enamide is CCCCNC(=O)C=CCc1ccccc1.
What is the InChIKey of N-butyl-4-phenylbut-2-enamide?
The InChIKey is ALGUPIKRLYGKBL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19NO/c1-2-3-12-15-14(16)11-7-10-13-8-5-4-6-9-13/h4-9,11H,2-3,10,12H2,1H3,(H,15,16).
What are the key properties of N-butyl-4-phenylbut-2-enamide?
N-butyl-4-phenylbut-2-enamide has a molecular weight of 217.31 g/mol, XLogP of 2.70, 6 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-butyl-4-phenylbut-2-enamide is sourced from PubChem (CID 154634439), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).