N-[(4-hydroxy-3-methoxyphenyl)methyl]undec-10-ynamide

C19H27NO3 — CID 3032050

IUPACN-[(4-hydroxy-3-methoxyphenyl)methyl]undec-10-ynamide
SMILESC#CCCCCCCCCC(=O)NCc1ccc(O)c(OC)c1
InChIInChI=1S/C19H27NO3/c1-3-4-5-6-7-8-9-10-11-19(22)20-15-16-12-13-17(21)18(14-16)23-2/h1,12-14,21H,4-11,15H2,2H3,(H,20,22)
InChIKeyKIFSWRNTGICWRI-UHFFFAOYSA-N
MW317.43 g/mol
LogP3.77
Rot. Bonds11

About N-[(4-hydroxy-3-methoxyphenyl)methyl]undec-10-ynamide

N-[(4-hydroxy-3-methoxyphenyl)methyl]undec-10-ynamide (PubChem CID 3032050) has the molecular formula C19H27NO3 and a molecular weight of 317.43 g/mol. Its IUPAC name is N-[(4-hydroxy-3-methoxyphenyl)methyl]undec-10-ynamide.

Molecular Properties

Compound NameN-[(4-hydroxy-3-methoxyphenyl)methyl]undec-10-ynamide
PubChem CID3032050
Molecular FormulaC19H27NO3
Molecular Weight317.43 g/mol
Exact Mass317.20
IUPAC NameN-[(4-hydroxy-3-methoxyphenyl)methyl]undec-10-ynamide
SMILESC#CCCCCCCCCC(=O)NCc1ccc(O)c(OC)c1
InChIInChI=1S/C19H27NO3/c1-3-4-5-6-7-8-9-10-11-19(22)20-15-16-12-13-17(21)18(14-16)23-2/h1,12-14,21H,4-11,15H2,2H3,(H,20,22)
InChIKeyKIFSWRNTGICWRI-UHFFFAOYSA-N
XLogP3.77
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds11
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.43
LogP ≤ 53.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze N-[(4-hydroxy-3-methoxyphenyl)methyl]undec-10-ynamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[(4-hydroxy-3-methoxyphenyl)methyl]oct-6-ynamide
CID 156856949
N-[(4-hydroxy-3-methoxyphenyl)methyl]nonanamide
CID 2998
N-[(4-hydroxy-3-methoxyphenyl)methyl]non-6-ynamide
CID 156856948
N-[(4-hydroxy-3-methoxyphenyl)methyl]heptanamide acetate
CID 20976476
8-hydroxy-N-[(4-hydroxy-3-methoxyphenyl)methyl]non-6-enamide
CID 162817846
7-(3,5-diethoxyphenyl)-N-[(4-hydroxy-3-methoxyphenyl)methyl]hept-6-ynamide
CID 156856937
ethanol;N-[(4-hydroxy-3-methoxyphenyl)methyl]-8-methylnonanamide;2-methylbutane;propan-2-ol
CID 174965538
N-[(3,4-dihydroxyphenyl)methyl]-2-(4-hydroxy-3-methoxyphenyl)acetamide
CID 10063540
N-[(4-hydroxy-3-methoxyphenyl)methyl]nonanamide;methyl 3-amino-4-hydroxybenzoate
CID 68817622
4-(aminomethyl)-2-methoxyphenol;N-[(4-hydroxy-3-methoxyphenyl)methyl]-8-methylnon-6-enamide
CID 174887976
(E)-8,9,9,9-tetradeuterio-N-[(4-hydroxy-3-methoxyphenyl)methyl]-8-(trideuteriomethyl)non-6-enamide
CID 171391573
3-(2,3-dichlorophenyl)-N-[(4-hydroxy-3-methoxyphenyl)methyl]propanamide
CID 55690888

Frequently Asked Questions

What is the IUPAC name of N-[(4-hydroxy-3-methoxyphenyl)methyl]undec-10-ynamide?
The IUPAC name of N-[(4-hydroxy-3-methoxyphenyl)methyl]undec-10-ynamide (CID 3032050) is N-[(4-hydroxy-3-methoxyphenyl)methyl]undec-10-ynamide.
What is the SMILES notation for N-[(4-hydroxy-3-methoxyphenyl)methyl]undec-10-ynamide?
The canonical SMILES for N-[(4-hydroxy-3-methoxyphenyl)methyl]undec-10-ynamide is C#CCCCCCCCCC(=O)NCc1ccc(O)c(OC)c1.
What is the InChIKey of N-[(4-hydroxy-3-methoxyphenyl)methyl]undec-10-ynamide?
The InChIKey is KIFSWRNTGICWRI-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H27NO3/c1-3-4-5-6-7-8-9-10-11-19(22)20-15-16-12-13-17(21)18(14-16)23-2/h1,12-14,21H,4-11,15H2,2H3,(H,20,22).
What are the key properties of N-[(4-hydroxy-3-methoxyphenyl)methyl]undec-10-ynamide?
N-[(4-hydroxy-3-methoxyphenyl)methyl]undec-10-ynamide has a molecular weight of 317.43 g/mol, XLogP of 3.77, 11 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-hydroxy-3-methoxyphenyl)methyl]undec-10-ynamide is sourced from PubChem (CID 3032050), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).