N-[[4-(3-hydroxyprop-1-ynyl)phenyl]methyl]-3-methoxypropanamide

C14H17NO3 — CID 62590800

IUPACN-[[4-(3-hydroxyprop-1-ynyl)phenyl]methyl]-3-methoxypropanamide
SMILESCOCCC(=O)NCc1ccc(C#CCO)cc1
InChIInChI=1S/C14H17NO3/c1-18-10-8-14(17)15-11-13-6-4-12(5-7-13)3-2-9-16/h4-7,16H,8-11H2,1H3,(H,15,17)
InChIKeyPMIWDZIVUJZYLH-UHFFFAOYSA-N
MW247.29 g/mol
LogP0.68
Rot. Bonds5

About N-[[4-(3-hydroxyprop-1-ynyl)phenyl]methyl]-3-methoxypropanamide

N-[[4-(3-hydroxyprop-1-ynyl)phenyl]methyl]-3-methoxypropanamide (PubChem CID 62590800) has the molecular formula C14H17NO3 and a molecular weight of 247.29 g/mol. Its IUPAC name is N-[[4-(3-hydroxyprop-1-ynyl)phenyl]methyl]-3-methoxypropanamide.

Molecular Properties

Compound NameN-[[4-(3-hydroxyprop-1-ynyl)phenyl]methyl]-3-methoxypropanamide
PubChem CID62590800
Molecular FormulaC14H17NO3
Molecular Weight247.29 g/mol
Exact Mass247.12
IUPAC NameN-[[4-(3-hydroxyprop-1-ynyl)phenyl]methyl]-3-methoxypropanamide
SMILESCOCCC(=O)NCc1ccc(C#CCO)cc1
InChIInChI=1S/C14H17NO3/c1-18-10-8-14(17)15-11-13-6-4-12(5-7-13)3-2-9-16/h4-7,16H,8-11H2,1H3,(H,15,17)
InChIKeyPMIWDZIVUJZYLH-UHFFFAOYSA-N
XLogP0.68
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.29
LogP ≤ 50.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-[[4-(4-hydroxybut-1-ynyl)phenyl]methyl]-3-propoxypropanamide
CID 62717535
3-methoxy-N-[[4-(trifluoromethyl)phenyl]methyl]propanamide
CID 110480479
N-[[4-(3-hydroxyprop-1-ynyl)phenyl]methyl]-2,2-dimethylbutanamide
CID 55102917
N-[[4-(3-hydroxyprop-1-ynyl)phenyl]methyl]pyrimidine-5-carboxamide
CID 102922411
N-[[2-(hydroxymethyl)phenyl]methyl]-3-methoxypropanamide
CID 110924169
3-methoxy-N-(1H-pyrrol-3-ylmethyl)propanamide
CID 106385639
N-[[4-(3-hydroxyprop-1-ynyl)phenyl]methyl]thiadiazole-5-carboxamide
CID 65215156
3-methoxy-N-[(3-methylphenyl)methyl]propanamide
CID 71248457
4-fluoro-N-[4-[(3-methoxypropanoylamino)methyl]phenyl]benzamide
CID 56823918
3-chloro-N-[[4-(3-hydroxyprop-1-ynyl)phenyl]methyl]thiophene-2-carboxamide
CID 80641037
5-(3-hydroxyprop-1-ynyl)-N-(2-methoxyethyl)-2-methylbenzamide
CID 65311317
3-methoxy-N-(pyridin-3-ylmethyl)propanamide
CID 110839174

Frequently Asked Questions

What is the IUPAC name of N-[[4-(3-hydroxyprop-1-ynyl)phenyl]methyl]-3-methoxypropanamide?
The IUPAC name of N-[[4-(3-hydroxyprop-1-ynyl)phenyl]methyl]-3-methoxypropanamide (CID 62590800) is N-[[4-(3-hydroxyprop-1-ynyl)phenyl]methyl]-3-methoxypropanamide.
What is the SMILES notation for N-[[4-(3-hydroxyprop-1-ynyl)phenyl]methyl]-3-methoxypropanamide?
The canonical SMILES for N-[[4-(3-hydroxyprop-1-ynyl)phenyl]methyl]-3-methoxypropanamide is COCCC(=O)NCc1ccc(C#CCO)cc1.
What is the InChIKey of N-[[4-(3-hydroxyprop-1-ynyl)phenyl]methyl]-3-methoxypropanamide?
The InChIKey is PMIWDZIVUJZYLH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17NO3/c1-18-10-8-14(17)15-11-13-6-4-12(5-7-13)3-2-9-16/h4-7,16H,8-11H2,1H3,(H,15,17).
What are the key properties of N-[[4-(3-hydroxyprop-1-ynyl)phenyl]methyl]-3-methoxypropanamide?
N-[[4-(3-hydroxyprop-1-ynyl)phenyl]methyl]-3-methoxypropanamide has a molecular weight of 247.29 g/mol, XLogP of 0.68, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-(3-hydroxyprop-1-ynyl)phenyl]methyl]-3-methoxypropanamide is sourced from PubChem (CID 62590800), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).