N-[3-(4-hydroxyphenyl)prop-2-ynyl]-N-phenylpentanamide

C20H21NO2 — CID 126509432

IUPACN-[3-(4-hydroxyphenyl)prop-2-ynyl]-N-phenylpentanamide
SMILESCCCCC(=O)N(CC#Cc1ccc(O)cc1)c1ccccc1
InChIInChI=1S/C20H21NO2/c1-2-3-11-20(23)21(18-9-5-4-6-10-18)16-7-8-17-12-14-19(22)15-13-17/h4-6,9-10,12-15,22H,2-3,11,16H2,1H3
InChIKeySACZYLMMXRLGCJ-UHFFFAOYSA-N
MW307.39 g/mol
LogP3.97
Rot. Bonds5

About N-[3-(4-hydroxyphenyl)prop-2-ynyl]-N-phenylpentanamide

N-[3-(4-hydroxyphenyl)prop-2-ynyl]-N-phenylpentanamide (PubChem CID 126509432) has the molecular formula C20H21NO2 and a molecular weight of 307.39 g/mol. Its IUPAC name is N-[3-(4-hydroxyphenyl)prop-2-ynyl]-N-phenylpentanamide.

Molecular Properties

Compound NameN-[3-(4-hydroxyphenyl)prop-2-ynyl]-N-phenylpentanamide
PubChem CID126509432
Molecular FormulaC20H21NO2
Molecular Weight307.39 g/mol
Exact Mass307.16
IUPAC NameN-[3-(4-hydroxyphenyl)prop-2-ynyl]-N-phenylpentanamide
SMILESCCCCC(=O)N(CC#Cc1ccc(O)cc1)c1ccccc1
InChIInChI=1S/C20H21NO2/c1-2-3-11-20(23)21(18-9-5-4-6-10-18)16-7-8-17-12-14-19(22)15-13-17/h4-6,9-10,12-15,22H,2-3,11,16H2,1H3
InChIKeySACZYLMMXRLGCJ-UHFFFAOYSA-N
XLogP3.97
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.39
LogP ≤ 53.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

acetic acid;2-[4-[3-(N-pentanoylanilino)prop-1-ynyl]phenoxy]acetic acid
CID 172689792
N-[3-[4-(4-methylpiperazine-1-carbonyl)phenyl]prop-2-ynyl]-N-phenylpentanamide
CID 126508111
N-phenyl-N-[3-[4-(4-prop-2-ynylpiperazine-1-carbonyl)phenyl]prop-2-ynyl]pentanamide
CID 126509585
2-[4-[3-(4-fluoro-N-pentanoylanilino)prop-1-ynyl]phenoxy]acetic acid
CID 134537607
N-ethyl-N-phenyloctadecanamide
CID 151424183
2-(N-heptanoyl-4-hydroxyanilino)acetic acid
CID 60832829
N-hydroxy-N-phenylpentanamide
CID 13199036
3-(N-octanoylanilino)propanoic acid
CID 60831115
N-(2-cyanoethyl)-N-phenyloctanamide
CID 43085178
4-amino-N-ethyl-N-phenylbutanamide;hydrochloride
CID 119261842
N-methyl-N-phenylnonanamide
CID 54136731
N-(3-hydroxyphenyl)-N-methylpentanamide
CID 107735913

Frequently Asked Questions

What is the IUPAC name of N-[3-(4-hydroxyphenyl)prop-2-ynyl]-N-phenylpentanamide?
The IUPAC name of N-[3-(4-hydroxyphenyl)prop-2-ynyl]-N-phenylpentanamide (CID 126509432) is N-[3-(4-hydroxyphenyl)prop-2-ynyl]-N-phenylpentanamide.
What is the SMILES notation for N-[3-(4-hydroxyphenyl)prop-2-ynyl]-N-phenylpentanamide?
The canonical SMILES for N-[3-(4-hydroxyphenyl)prop-2-ynyl]-N-phenylpentanamide is CCCCC(=O)N(CC#Cc1ccc(O)cc1)c1ccccc1.
What is the InChIKey of N-[3-(4-hydroxyphenyl)prop-2-ynyl]-N-phenylpentanamide?
The InChIKey is SACZYLMMXRLGCJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21NO2/c1-2-3-11-20(23)21(18-9-5-4-6-10-18)16-7-8-17-12-14-19(22)15-13-17/h4-6,9-10,12-15,22H,2-3,11,16H2,1H3.
What are the key properties of N-[3-(4-hydroxyphenyl)prop-2-ynyl]-N-phenylpentanamide?
N-[3-(4-hydroxyphenyl)prop-2-ynyl]-N-phenylpentanamide has a molecular weight of 307.39 g/mol, XLogP of 3.97, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(4-hydroxyphenyl)prop-2-ynyl]-N-phenylpentanamide is sourced from PubChem (CID 126509432), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).