N-[(3Z)-3-hydroxypenta-1,3-dien-2-yl]-N-phenylpentanamide

C16H21NO2 — CID 102171852

IUPACN-[(3Z)-3-hydroxypenta-1,3-dien-2-yl]-N-phenylpentanamide
SMILESC=C(/C(O)=C/C)N(C(=O)CCCC)c1ccccc1
InChIInChI=1S/C16H21NO2/c1-4-6-12-16(19)17(13(3)15(18)5-2)14-10-8-7-9-11-14/h5,7-11,18H,3-4,6,12H2,1-2H3/b15-5-
InChIKeyBGKARFLCJYRLEU-WCSRMQSCSA-N
MW259.35 g/mol
LogP4.19
Rot. Bonds6

About N-[(3Z)-3-hydroxypenta-1,3-dien-2-yl]-N-phenylpentanamide

N-[(3Z)-3-hydroxypenta-1,3-dien-2-yl]-N-phenylpentanamide (PubChem CID 102171852) has the molecular formula C16H21NO2 and a molecular weight of 259.35 g/mol. Its IUPAC name is N-[(3Z)-3-hydroxypenta-1,3-dien-2-yl]-N-phenylpentanamide.

Molecular Properties

Compound NameN-[(3Z)-3-hydroxypenta-1,3-dien-2-yl]-N-phenylpentanamide
PubChem CID102171852
Molecular FormulaC16H21NO2
Molecular Weight259.35 g/mol
Exact Mass259.16
IUPAC NameN-[(3Z)-3-hydroxypenta-1,3-dien-2-yl]-N-phenylpentanamide
SMILESC=C(/C(O)=C/C)N(C(=O)CCCC)c1ccccc1
InChIInChI=1S/C16H21NO2/c1-4-6-12-16(19)17(13(3)15(18)5-2)14-10-8-7-9-11-14/h5,7-11,18H,3-4,6,12H2,1-2H3/b15-5-
InChIKeyBGKARFLCJYRLEU-WCSRMQSCSA-N
XLogP4.19
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.35
LogP ≤ 54.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'polyene', 'substructure': 'N/A'}

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Related Compounds

N-hydroxy-N-phenylpentanamide
CID 13199036
N-methyl-N-phenylnonanamide
CID 54136731
N-ethyl-N-phenyloctadecanamide
CID 151424183
N-benzyl-N-methylpentanamide
CID 4629611
N-benzyl-N-nitrosopentanamide
CID 102399989
2-methylidenehexanoic acid;prop-2-enylbenzene
CID 67727241
ethane;1-phenylpentan-1-one
CID 143728184
hex-1-en-2-ylbenzene;propan-2-one
CID 142095367
N-benzyl-N-(2-phenylethyl)pentanamide
CID 112791262
3-(N-octanoylanilino)propanoic acid
CID 60831115
3-[benzyl(pentanoyl)amino]propanoic acid
CID 82323494
N-butyl-N-phenylprop-2-enamide
CID 43619884

Frequently Asked Questions

What is the IUPAC name of N-[(3Z)-3-hydroxypenta-1,3-dien-2-yl]-N-phenylpentanamide?
The IUPAC name of N-[(3Z)-3-hydroxypenta-1,3-dien-2-yl]-N-phenylpentanamide (CID 102171852) is N-[(3Z)-3-hydroxypenta-1,3-dien-2-yl]-N-phenylpentanamide.
What is the SMILES notation for N-[(3Z)-3-hydroxypenta-1,3-dien-2-yl]-N-phenylpentanamide?
The canonical SMILES for N-[(3Z)-3-hydroxypenta-1,3-dien-2-yl]-N-phenylpentanamide is C=C(/C(O)=C/C)N(C(=O)CCCC)c1ccccc1.
What is the InChIKey of N-[(3Z)-3-hydroxypenta-1,3-dien-2-yl]-N-phenylpentanamide?
The InChIKey is BGKARFLCJYRLEU-WCSRMQSCSA-N. The full InChI is InChI=1S/C16H21NO2/c1-4-6-12-16(19)17(13(3)15(18)5-2)14-10-8-7-9-11-14/h5,7-11,18H,3-4,6,12H2,1-2H3/b15-5-.
What are the key properties of N-[(3Z)-3-hydroxypenta-1,3-dien-2-yl]-N-phenylpentanamide?
N-[(3Z)-3-hydroxypenta-1,3-dien-2-yl]-N-phenylpentanamide has a molecular weight of 259.35 g/mol, XLogP of 4.19, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3Z)-3-hydroxypenta-1,3-dien-2-yl]-N-phenylpentanamide is sourced from PubChem (CID 102171852), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).