N-[(Z)-3-oxobut-1-enyl]-N-(4-phenylbutyl)acetamide

C16H21NO2 — CID 145371511

IUPACN-[(Z)-3-oxobut-1-enyl]-N-(4-phenylbutyl)acetamide
SMILESCC(=O)/C=C\N(CCCCc1ccccc1)C(C)=O
InChIInChI=1S/C16H21NO2/c1-14(18)11-13-17(15(2)19)12-7-6-10-16-8-4-3-5-9-16/h3-5,8-9,11,13H,6-7,10,12H2,1-2H3/b13-11-
InChIKeyDCGYZDWBTHWZOD-QBFSEMIESA-N
MW259.35 g/mol
LogP2.96
Rot. Bonds7

About N-[(Z)-3-oxobut-1-enyl]-N-(4-phenylbutyl)acetamide

N-[(Z)-3-oxobut-1-enyl]-N-(4-phenylbutyl)acetamide (PubChem CID 145371511) has the molecular formula C16H21NO2 and a molecular weight of 259.35 g/mol. Its IUPAC name is N-[(Z)-3-oxobut-1-enyl]-N-(4-phenylbutyl)acetamide.

Molecular Properties

Compound NameN-[(Z)-3-oxobut-1-enyl]-N-(4-phenylbutyl)acetamide
PubChem CID145371511
Molecular FormulaC16H21NO2
Molecular Weight259.35 g/mol
Exact Mass259.16
IUPAC NameN-[(Z)-3-oxobut-1-enyl]-N-(4-phenylbutyl)acetamide
SMILESCC(=O)/C=C\N(CCCCc1ccccc1)C(C)=O
InChIInChI=1S/C16H21NO2/c1-14(18)11-13-17(15(2)19)12-7-6-10-16-8-4-3-5-9-16/h3-5,8-9,11,13H,6-7,10,12H2,1-2H3/b13-11-
InChIKeyDCGYZDWBTHWZOD-QBFSEMIESA-N
XLogP2.96
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.35
LogP ≤ 52.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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

1,1-dimethyl-3-[(Z)-3-oxoprop-1-enyl]-3-(4-phenylbutyl)urea
CID 130441937
1-amino-1-(4-phenylbutyl)urea
CID 170908979
5-phenylpentan-2-one
CID 16701
N-methyl-N-(4-phenylbutyl)prop-2-enamide
CID 60949708
N-benzyl-N-[(Z)-prop-1-enyl]acetamide
CID 68566363
N-methyl-4-[4-(4-phenylbutyl)phenyl]butanamide
CID 58974296
N,N-dimethyl-9-phenylnona-2,4-dienamide
CID 123716646
2-amino-N-methyl-N-(4-phenylbutyl)acetamide
CID 60946836
carbonic acid;pentylbenzene
CID 157127683
4-phenylbutylbenzene
CID 141301927
3-[acetyl(3-phenylpropyl)amino]-N-methyl-N-phenylpropanamide
CID 113122262
N,N-dimethyl-10-phenyldeca-2,4-dienamide
CID 123909046

Frequently Asked Questions

What is the IUPAC name of N-[(Z)-3-oxobut-1-enyl]-N-(4-phenylbutyl)acetamide?
The IUPAC name of N-[(Z)-3-oxobut-1-enyl]-N-(4-phenylbutyl)acetamide (CID 145371511) is N-[(Z)-3-oxobut-1-enyl]-N-(4-phenylbutyl)acetamide.
What is the SMILES notation for N-[(Z)-3-oxobut-1-enyl]-N-(4-phenylbutyl)acetamide?
The canonical SMILES for N-[(Z)-3-oxobut-1-enyl]-N-(4-phenylbutyl)acetamide is CC(=O)/C=C\N(CCCCc1ccccc1)C(C)=O.
What is the InChIKey of N-[(Z)-3-oxobut-1-enyl]-N-(4-phenylbutyl)acetamide?
The InChIKey is DCGYZDWBTHWZOD-QBFSEMIESA-N. The full InChI is InChI=1S/C16H21NO2/c1-14(18)11-13-17(15(2)19)12-7-6-10-16-8-4-3-5-9-16/h3-5,8-9,11,13H,6-7,10,12H2,1-2H3/b13-11-.
What are the key properties of N-[(Z)-3-oxobut-1-enyl]-N-(4-phenylbutyl)acetamide?
N-[(Z)-3-oxobut-1-enyl]-N-(4-phenylbutyl)acetamide has a molecular weight of 259.35 g/mol, XLogP of 2.96, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(Z)-3-oxobut-1-enyl]-N-(4-phenylbutyl)acetamide is sourced from PubChem (CID 145371511), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).