N-[3-(4-hydroxybut-1-ynyl)phenyl]-2-methoxy-2-methylpropanamide

C15H19NO3 — CID 103021832

IUPACN-[3-(4-hydroxybut-1-ynyl)phenyl]-2-methoxy-2-methylpropanamide
SMILESCOC(C)(C)C(=O)Nc1cccc(C#CCCO)c1
InChIInChI=1S/C15H19NO3/c1-15(2,19-3)14(18)16-13-9-6-8-12(11-13)7-4-5-10-17/h6,8-9,11,17H,5,10H2,1-3H3,(H,16,18)
InChIKeyBRWWMTROLAZEDZ-UHFFFAOYSA-N
MW261.32 g/mol
LogP1.78
Rot. Bonds4

About N-[3-(4-hydroxybut-1-ynyl)phenyl]-2-methoxy-2-methylpropanamide

N-[3-(4-hydroxybut-1-ynyl)phenyl]-2-methoxy-2-methylpropanamide (PubChem CID 103021832) has the molecular formula C15H19NO3 and a molecular weight of 261.32 g/mol. Its IUPAC name is N-[3-(4-hydroxybut-1-ynyl)phenyl]-2-methoxy-2-methylpropanamide.

Molecular Properties

Compound NameN-[3-(4-hydroxybut-1-ynyl)phenyl]-2-methoxy-2-methylpropanamide
PubChem CID103021832
Molecular FormulaC15H19NO3
Molecular Weight261.32 g/mol
Exact Mass261.14
IUPAC NameN-[3-(4-hydroxybut-1-ynyl)phenyl]-2-methoxy-2-methylpropanamide
SMILESCOC(C)(C)C(=O)Nc1cccc(C#CCCO)c1
InChIInChI=1S/C15H19NO3/c1-15(2,19-3)14(18)16-13-9-6-8-12(11-13)7-4-5-10-17/h6,8-9,11,17H,5,10H2,1-3H3,(H,16,18)
InChIKeyBRWWMTROLAZEDZ-UHFFFAOYSA-N
XLogP1.78
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.32
LogP ≤ 51.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze N-[3-(4-hydroxybut-1-ynyl)phenyl]-2-methoxy-2-methylpropanamide 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

1-tert-butyl-3-[3-(4-hydroxybut-1-ynyl)phenyl]urea
CID 60814393
N-[3-(4-hydroxybut-1-ynyl)phenyl]-3-methoxypropanamide
CID 62590238
3-[3-(4-hydroxybut-1-ynyl)phenyl]-1,1-dimethylurea
CID 79154315
N-[3-(4-hydroxybut-1-ynyl)phenyl]butanamide
CID 60804224
2-ethoxy-N-[3-(4-hydroxybut-1-ynyl)phenyl]acetamide
CID 60803360
N-[2-ethyl-4-(4-hydroxybut-1-ynyl)phenyl]-2-methoxy-2-methylpropanamide
CID 103021923
phenyl N-[3-(4-hydroxybut-1-ynyl)phenyl]carbamate
CID 60813714
N-[3-(3-hydroxyprop-1-ynyl)-5-methylphenyl]-2-methoxy-2-methylpropanamide
CID 107578023
N-[3-(4-hydroxybut-1-ynyl)phenyl]azepane-1-carboxamide
CID 79157672
3-chloro-N-[3-(4-hydroxybut-1-ynyl)phenyl]benzamide
CID 60804759
methyl 3-[[3-(4-hydroxybut-1-ynyl)phenyl]sulfamoyl]propanoate
CID 61458598
3-ethyl-N-[3-(4-hydroxybut-1-ynyl)phenyl]thiophene-2-carboxamide
CID 79975769

Frequently Asked Questions

What is the IUPAC name of N-[3-(4-hydroxybut-1-ynyl)phenyl]-2-methoxy-2-methylpropanamide?
The IUPAC name of N-[3-(4-hydroxybut-1-ynyl)phenyl]-2-methoxy-2-methylpropanamide (CID 103021832) is N-[3-(4-hydroxybut-1-ynyl)phenyl]-2-methoxy-2-methylpropanamide.
What is the SMILES notation for N-[3-(4-hydroxybut-1-ynyl)phenyl]-2-methoxy-2-methylpropanamide?
The canonical SMILES for N-[3-(4-hydroxybut-1-ynyl)phenyl]-2-methoxy-2-methylpropanamide is COC(C)(C)C(=O)Nc1cccc(C#CCCO)c1.
What is the InChIKey of N-[3-(4-hydroxybut-1-ynyl)phenyl]-2-methoxy-2-methylpropanamide?
The InChIKey is BRWWMTROLAZEDZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19NO3/c1-15(2,19-3)14(18)16-13-9-6-8-12(11-13)7-4-5-10-17/h6,8-9,11,17H,5,10H2,1-3H3,(H,16,18).
What are the key properties of N-[3-(4-hydroxybut-1-ynyl)phenyl]-2-methoxy-2-methylpropanamide?
N-[3-(4-hydroxybut-1-ynyl)phenyl]-2-methoxy-2-methylpropanamide has a molecular weight of 261.32 g/mol, XLogP of 1.78, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(4-hydroxybut-1-ynyl)phenyl]-2-methoxy-2-methylpropanamide is sourced from PubChem (CID 103021832), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).