N-[3-(4-hydroxybut-1-ynyl)phenyl]butanamide

C14H17NO2 — CID 60804224

IUPACN-[3-(4-hydroxybut-1-ynyl)phenyl]butanamide
SMILESCCCC(=O)Nc1cccc(C#CCCO)c1
InChIInChI=1S/C14H17NO2/c1-2-6-14(17)15-13-9-5-8-12(11-13)7-3-4-10-16/h5,8-9,11,16H,2,4,6,10H2,1H3,(H,15,17)
InChIKeyZAHLAIHANCPLKB-UHFFFAOYSA-N
MW231.29 g/mol
LogP2.16
Rot. Bonds4

About N-[3-(4-hydroxybut-1-ynyl)phenyl]butanamide

N-[3-(4-hydroxybut-1-ynyl)phenyl]butanamide (PubChem CID 60804224) has the molecular formula C14H17NO2 and a molecular weight of 231.29 g/mol. Its IUPAC name is N-[3-(4-hydroxybut-1-ynyl)phenyl]butanamide.

Molecular Properties

Compound NameN-[3-(4-hydroxybut-1-ynyl)phenyl]butanamide
PubChem CID60804224
Molecular FormulaC14H17NO2
Molecular Weight231.29 g/mol
Exact Mass231.13
IUPAC NameN-[3-(4-hydroxybut-1-ynyl)phenyl]butanamide
SMILESCCCC(=O)Nc1cccc(C#CCCO)c1
InChIInChI=1S/C14H17NO2/c1-2-6-14(17)15-13-9-5-8-12(11-13)7-3-4-10-16/h5,8-9,11,16H,2,4,6,10H2,1H3,(H,15,17)
InChIKeyZAHLAIHANCPLKB-UHFFFAOYSA-N
XLogP2.16
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.29
LogP ≤ 52.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze N-[3-(4-hydroxybut-1-ynyl)phenyl]butanamide 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-(4-hydroxybut-1-ynyl)phenyl]-3-methoxypropanamide
CID 62590238
2-ethoxy-N-[3-(4-hydroxybut-1-ynyl)phenyl]acetamide
CID 60803360
3-[3-(4-hydroxybut-1-ynyl)phenyl]-1,1-dimethylurea
CID 79154315
N-[3-(3-hydroxyprop-1-ynyl)phenyl]nonanamide
CID 65426940
1-tert-butyl-3-[3-(4-hydroxybut-1-ynyl)phenyl]urea
CID 60814393
N-[3-(4-hydroxybut-1-ynyl)phenyl]-2-methoxy-2-methylpropanamide
CID 103021832
N-[2-fluoro-4-(4-hydroxybut-1-ynyl)phenyl]butanamide
CID 60803011
N-[3-(4-hydroxybut-1-ynyl)phenyl]-2-thiophen-3-ylacetamide
CID 60803359
3-ethyl-N-[3-(4-hydroxybut-1-ynyl)phenyl]thiophene-2-carboxamide
CID 79975769
phenyl N-[3-(4-hydroxybut-1-ynyl)phenyl]carbamate
CID 60813714
N-[3-(4-hydroxybut-1-ynyl)phenyl]azepane-1-carboxamide
CID 79157672
3-chloro-N-[3-(4-hydroxybut-1-ynyl)phenyl]benzamide
CID 60804759

Frequently Asked Questions

What is the IUPAC name of N-[3-(4-hydroxybut-1-ynyl)phenyl]butanamide?
The IUPAC name of N-[3-(4-hydroxybut-1-ynyl)phenyl]butanamide (CID 60804224) is N-[3-(4-hydroxybut-1-ynyl)phenyl]butanamide.
What is the SMILES notation for N-[3-(4-hydroxybut-1-ynyl)phenyl]butanamide?
The canonical SMILES for N-[3-(4-hydroxybut-1-ynyl)phenyl]butanamide is CCCC(=O)Nc1cccc(C#CCCO)c1.
What is the InChIKey of N-[3-(4-hydroxybut-1-ynyl)phenyl]butanamide?
The InChIKey is ZAHLAIHANCPLKB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17NO2/c1-2-6-14(17)15-13-9-5-8-12(11-13)7-3-4-10-16/h5,8-9,11,16H,2,4,6,10H2,1H3,(H,15,17).
What are the key properties of N-[3-(4-hydroxybut-1-ynyl)phenyl]butanamide?
N-[3-(4-hydroxybut-1-ynyl)phenyl]butanamide has a molecular weight of 231.29 g/mol, XLogP of 2.16, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(4-hydroxybut-1-ynyl)phenyl]butanamide is sourced from PubChem (CID 60804224), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).