N-[4-[4-[(2-hydroxyacetyl)amino]benzoyl]phenyl]hex-5-ynamide

C21H20N2O4 — CID 87370028

IUPACN-[4-[4-[(2-hydroxyacetyl)amino]benzoyl]phenyl]hex-5-ynamide
SMILESC#CCCCC(=O)Nc1ccc(C(=O)c2ccc(NC(=O)CO)cc2)cc1
InChIInChI=1S/C21H20N2O4/c1-2-3-4-5-19(25)22-17-10-6-15(7-11-17)21(27)16-8-12-18(13-9-16)23-20(26)14-24/h1,6-13,24H,3-5,14H2,(H,22,25)(H,23,26)
InChIKeyVYHRFOGJAZAQBW-UHFFFAOYSA-N
MW364.40 g/mol
LogP2.59
Rot. Bonds8

About N-[4-[4-[(2-hydroxyacetyl)amino]benzoyl]phenyl]hex-5-ynamide

N-[4-[4-[(2-hydroxyacetyl)amino]benzoyl]phenyl]hex-5-ynamide (PubChem CID 87370028) has the molecular formula C21H20N2O4 and a molecular weight of 364.40 g/mol. Its IUPAC name is N-[4-[4-[(2-hydroxyacetyl)amino]benzoyl]phenyl]hex-5-ynamide.

Molecular Properties

Compound NameN-[4-[4-[(2-hydroxyacetyl)amino]benzoyl]phenyl]hex-5-ynamide
PubChem CID87370028
Molecular FormulaC21H20N2O4
Molecular Weight364.40 g/mol
Exact Mass364.14
IUPAC NameN-[4-[4-[(2-hydroxyacetyl)amino]benzoyl]phenyl]hex-5-ynamide
SMILESC#CCCCC(=O)Nc1ccc(C(=O)c2ccc(NC(=O)CO)cc2)cc1
InChIInChI=1S/C21H20N2O4/c1-2-3-4-5-19(25)22-17-10-6-15(7-11-17)21(27)16-8-12-18(13-9-16)23-20(26)14-24/h1,6-13,24H,3-5,14H2,(H,22,25)(H,23,26)
InChIKeyVYHRFOGJAZAQBW-UHFFFAOYSA-N
XLogP2.59
TPSA95.50 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.40
LogP ≤ 52.59
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze N-[4-[4-[(2-hydroxyacetyl)amino]benzoyl]phenyl]hex-5-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-(3-hydroxyphenyl)hex-5-ynamide
CID 146294114
N-(4-methylphenyl)pent-4-ynamide
CID 82363120
N-(4-fluorophenyl)pent-4-ynamide
CID 72544109
N-[3-(hydroxymethyl)phenyl]hept-6-ynamide
CID 113349468
N-(1H-pyrazol-4-yl)hex-5-ynamide
CID 130658950
4-(4-hydroxybutanoylamino)benzamide
CID 79203349
N-[4-[4-[[5-fluoro-4-[2-(methanesulfonamido)anilino]pyrimidin-2-yl]amino]benzoyl]phenyl]hex-5-ynamide
CID 90667458
methyl 4-[(5-oxo-5-prop-2-ynoxypentanoyl)amino]benzoate
CID 2255917
5-oxo-5-[4-(2,3,4,5,6-pentamethylbenzoyl)anilino]pentanoic acid
CID 134119488
N-(2-methyl-4-pyridinyl)hept-6-ynamide
CID 123868405
2-(hex-5-ynylamino)-N-(4-methylphenyl)acetamide
CID 106211682
N,N'-bis(4-carbamimidoylphenyl)pentanediamide;dihydrochloride
CID 15954191

Frequently Asked Questions

What is the IUPAC name of N-[4-[4-[(2-hydroxyacetyl)amino]benzoyl]phenyl]hex-5-ynamide?
The IUPAC name of N-[4-[4-[(2-hydroxyacetyl)amino]benzoyl]phenyl]hex-5-ynamide (CID 87370028) is N-[4-[4-[(2-hydroxyacetyl)amino]benzoyl]phenyl]hex-5-ynamide.
What is the SMILES notation for N-[4-[4-[(2-hydroxyacetyl)amino]benzoyl]phenyl]hex-5-ynamide?
The canonical SMILES for N-[4-[4-[(2-hydroxyacetyl)amino]benzoyl]phenyl]hex-5-ynamide is C#CCCCC(=O)Nc1ccc(C(=O)c2ccc(NC(=O)CO)cc2)cc1.
What is the InChIKey of N-[4-[4-[(2-hydroxyacetyl)amino]benzoyl]phenyl]hex-5-ynamide?
The InChIKey is VYHRFOGJAZAQBW-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20N2O4/c1-2-3-4-5-19(25)22-17-10-6-15(7-11-17)21(27)16-8-12-18(13-9-16)23-20(26)14-24/h1,6-13,24H,3-5,14H2,(H,22,25)(H,23,26).
What are the key properties of N-[4-[4-[(2-hydroxyacetyl)amino]benzoyl]phenyl]hex-5-ynamide?
N-[4-[4-[(2-hydroxyacetyl)amino]benzoyl]phenyl]hex-5-ynamide has a molecular weight of 364.40 g/mol, XLogP of 2.59, 8 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[4-[(2-hydroxyacetyl)amino]benzoyl]phenyl]hex-5-ynamide is sourced from PubChem (CID 87370028), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).