N-[1-[3-(3-hydroxyprop-1-ynyl)phenyl]ethyl]-2-methyloxolane-3-carboxamide

C17H21NO3 — CID 79755724

IUPACN-[1-[3-(3-hydroxyprop-1-ynyl)phenyl]ethyl]-2-methyloxolane-3-carboxamide
SMILESCC(NC(=O)C1CCOC1C)c1cccc(C#CCO)c1
InChIInChI=1S/C17H21NO3/c1-12(18-17(20)16-8-10-21-13(16)2)15-7-3-5-14(11-15)6-4-9-19/h3,5,7,11-13,16,19H,8-10H2,1-2H3,(H,18,20)
InChIKeyKDYXFVBQWRDNGV-UHFFFAOYSA-N
MW287.36 g/mol
LogP1.63
Rot. Bonds3

About N-[1-[3-(3-hydroxyprop-1-ynyl)phenyl]ethyl]-2-methyloxolane-3-carboxamide

N-[1-[3-(3-hydroxyprop-1-ynyl)phenyl]ethyl]-2-methyloxolane-3-carboxamide (PubChem CID 79755724) has the molecular formula C17H21NO3 and a molecular weight of 287.36 g/mol. Its IUPAC name is N-[1-[3-(3-hydroxyprop-1-ynyl)phenyl]ethyl]-2-methyloxolane-3-carboxamide.

Molecular Properties

Compound NameN-[1-[3-(3-hydroxyprop-1-ynyl)phenyl]ethyl]-2-methyloxolane-3-carboxamide
PubChem CID79755724
Molecular FormulaC17H21NO3
Molecular Weight287.36 g/mol
Exact Mass287.15
IUPAC NameN-[1-[3-(3-hydroxyprop-1-ynyl)phenyl]ethyl]-2-methyloxolane-3-carboxamide
SMILESCC(NC(=O)C1CCOC1C)c1cccc(C#CCO)c1
InChIInChI=1S/C17H21NO3/c1-12(18-17(20)16-8-10-21-13(16)2)15-7-3-5-14(11-15)6-4-9-19/h3,5,7,11-13,16,19H,8-10H2,1-2H3,(H,18,20)
InChIKeyKDYXFVBQWRDNGV-UHFFFAOYSA-N
XLogP1.63
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.36
LogP ≤ 51.63
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

1-cyclobutyl-3-[1-[3-(3-hydroxyprop-1-ynyl)phenyl]ethyl]urea
CID 116658753
N-[1-[3-(3-hydroxyprop-1-ynyl)phenyl]ethyl]-2-methoxy-2-methylpropanamide
CID 103021864
N-[1-[3-(3-hydroxyprop-1-ynyl)phenyl]ethyl]pyrimidine-5-carboxamide
CID 102922419
3-(3-hydroxyprop-1-ynyl)-N-(2-methyloxolan-3-yl)benzenesulfonamide
CID 82735852
(2S,3R)-2-ethyl-N-[1-[3-(methanesulfonamido)phenyl]ethyl]oxolane-3-carboxamide
CID 138027732
N-[1-[3-(3-hydroxyprop-1-ynyl)phenyl]ethyl]thiadiazole-5-carboxamide
CID 65215264
N-[1-(3-chlorophenyl)ethyl]oxane-4-carboxamide
CID 51073080
N-[4-(4-hydroxybut-1-ynyl)-2-pyridinyl]-2-methyloxolane-3-carboxamide
CID 102821114
(2S)-2-[(2-methyloxolane-3-carbonyl)amino]-3-phenylpropanoic acid
CID 79750162
N-[[3-(hydroxymethyl)phenyl]methyl]-2-methyloxolane-3-carboxamide
CID 79759928
N-(2-amino-2-phenylethyl)-2-methyloxolane-3-carboxamide
CID 79760131
3-[1-(3-chlorophenyl)ethylcarbamoyl]cyclopentane-1-carboxylic acid
CID 103549956

Frequently Asked Questions

What is the IUPAC name of N-[1-[3-(3-hydroxyprop-1-ynyl)phenyl]ethyl]-2-methyloxolane-3-carboxamide?
The IUPAC name of N-[1-[3-(3-hydroxyprop-1-ynyl)phenyl]ethyl]-2-methyloxolane-3-carboxamide (CID 79755724) is N-[1-[3-(3-hydroxyprop-1-ynyl)phenyl]ethyl]-2-methyloxolane-3-carboxamide.
What is the SMILES notation for N-[1-[3-(3-hydroxyprop-1-ynyl)phenyl]ethyl]-2-methyloxolane-3-carboxamide?
The canonical SMILES for N-[1-[3-(3-hydroxyprop-1-ynyl)phenyl]ethyl]-2-methyloxolane-3-carboxamide is CC(NC(=O)C1CCOC1C)c1cccc(C#CCO)c1.
What is the InChIKey of N-[1-[3-(3-hydroxyprop-1-ynyl)phenyl]ethyl]-2-methyloxolane-3-carboxamide?
The InChIKey is KDYXFVBQWRDNGV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21NO3/c1-12(18-17(20)16-8-10-21-13(16)2)15-7-3-5-14(11-15)6-4-9-19/h3,5,7,11-13,16,19H,8-10H2,1-2H3,(H,18,20).
What are the key properties of N-[1-[3-(3-hydroxyprop-1-ynyl)phenyl]ethyl]-2-methyloxolane-3-carboxamide?
N-[1-[3-(3-hydroxyprop-1-ynyl)phenyl]ethyl]-2-methyloxolane-3-carboxamide has a molecular weight of 287.36 g/mol, XLogP of 1.63, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[3-(3-hydroxyprop-1-ynyl)phenyl]ethyl]-2-methyloxolane-3-carboxamide is sourced from PubChem (CID 79755724), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).