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

C16H21NO2 — CID 102171844

IUPACN-[(3Z)-3-hydroxypenta-1,3-dien-2-yl]-2,2-dimethyl-N-phenylpropanamide
SMILESC=C(/C(O)=C/C)N(C(=O)C(C)(C)C)c1ccccc1
InChIInChI=1S/C16H21NO2/c1-6-14(18)12(2)17(15(19)16(3,4)5)13-10-8-7-9-11-13/h6-11,18H,2H2,1,3-5H3/b14-6-
InChIKeyDWVIEPOSRPUAJO-NSIKDUERSA-N
MW259.35 g/mol
LogP4.04
Rot. Bonds3

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

N-[(3Z)-3-hydroxypenta-1,3-dien-2-yl]-2,2-dimethyl-N-phenylpropanamide (PubChem CID 102171844) 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]-2,2-dimethyl-N-phenylpropanamide.

Molecular Properties

Compound NameN-[(3Z)-3-hydroxypenta-1,3-dien-2-yl]-2,2-dimethyl-N-phenylpropanamide
PubChem CID102171844
Molecular FormulaC16H21NO2
Molecular Weight259.35 g/mol
Exact Mass259.16
IUPAC NameN-[(3Z)-3-hydroxypenta-1,3-dien-2-yl]-2,2-dimethyl-N-phenylpropanamide
SMILESC=C(/C(O)=C/C)N(C(=O)C(C)(C)C)c1ccccc1
InChIInChI=1S/C16H21NO2/c1-6-14(18)12(2)17(15(19)16(3,4)5)13-10-8-7-9-11-13/h6-11,18H,2H2,1,3-5H3/b14-6-
InChIKeyDWVIEPOSRPUAJO-NSIKDUERSA-N
XLogP4.04
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.35
LogP ≤ 54.04
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-[(3Z)-3-hydroxypenta-1,3-dien-2-yl]-N-phenylpentanamide
CID 102171852
N-ethyl-2,2-dimethyl-N-phenylpropanamide
CID 4127582
N-(3-bromophenyl)-2,2-dimethyl-N-phenylpropanamide
CID 172560756
N-(2,2-dimethyl-1-phenylphosphanylidenepropyl)-N-phenylbenzamide
CID 134920323
2,2-dimethyl-1-[4-(N-phenylanilino)phenyl]propan-1-one
CID 86015033
3,3,3-trifluoro-2-methyl-N,N-diphenyl-2-(trifluoromethyl)propanamide
CID 71672026
N-acetyl-2-ethenyl-N-phenyl-2-propylpentanamide
CID 142619732
(3E)-2-phenylpenta-1,3-dien-3-ol
CID 126638860
3-hydroxy-N,4,4-trimethyl-2-methylidene-N-phenylpentanamide
CID 15519221
2,3,3,3-tetrafluoro-2-methyl-N-phenyl-N-prop-2-enylpropanamide
CID 118052424
2-(N-methylanilino)prop-2-enal
CID 88506227
2-hydroxy-N,N-dimethyl-2-phenylpropanamide
CID 121216825

Frequently Asked Questions

What is the IUPAC name of N-[(3Z)-3-hydroxypenta-1,3-dien-2-yl]-2,2-dimethyl-N-phenylpropanamide?
The IUPAC name of N-[(3Z)-3-hydroxypenta-1,3-dien-2-yl]-2,2-dimethyl-N-phenylpropanamide (CID 102171844) is N-[(3Z)-3-hydroxypenta-1,3-dien-2-yl]-2,2-dimethyl-N-phenylpropanamide.
What is the SMILES notation for N-[(3Z)-3-hydroxypenta-1,3-dien-2-yl]-2,2-dimethyl-N-phenylpropanamide?
The canonical SMILES for N-[(3Z)-3-hydroxypenta-1,3-dien-2-yl]-2,2-dimethyl-N-phenylpropanamide is C=C(/C(O)=C/C)N(C(=O)C(C)(C)C)c1ccccc1.
What is the InChIKey of N-[(3Z)-3-hydroxypenta-1,3-dien-2-yl]-2,2-dimethyl-N-phenylpropanamide?
The InChIKey is DWVIEPOSRPUAJO-NSIKDUERSA-N. The full InChI is InChI=1S/C16H21NO2/c1-6-14(18)12(2)17(15(19)16(3,4)5)13-10-8-7-9-11-13/h6-11,18H,2H2,1,3-5H3/b14-6-.
What are the key properties of N-[(3Z)-3-hydroxypenta-1,3-dien-2-yl]-2,2-dimethyl-N-phenylpropanamide?
N-[(3Z)-3-hydroxypenta-1,3-dien-2-yl]-2,2-dimethyl-N-phenylpropanamide has a molecular weight of 259.35 g/mol, XLogP of 4.04, 3 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]-2,2-dimethyl-N-phenylpropanamide is sourced from PubChem (CID 102171844), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).