2-(3-hydroxyprop-1-ynyl)-N-methyl-N-[(5-methylfuran-2-yl)methyl]benzamide

C17H17NO3 — CID 60816381

IUPAC2-(3-hydroxyprop-1-ynyl)-N-methyl-N-[(5-methylfuran-2-yl)methyl]benzamide
SMILESCc1ccc(CN(C)C(=O)c2ccccc2C#CCO)o1
InChIInChI=1S/C17H17NO3/c1-13-9-10-15(21-13)12-18(2)17(20)16-8-4-3-6-14(16)7-5-11-19/h3-4,6,8-10,19H,11-12H2,1-2H3
InChIKeyBTEBLXWJRLVKIV-UHFFFAOYSA-N
MW283.33 g/mol
LogP2.20
Rot. Bonds3

About 2-(3-hydroxyprop-1-ynyl)-N-methyl-N-[(5-methylfuran-2-yl)methyl]benzamide

2-(3-hydroxyprop-1-ynyl)-N-methyl-N-[(5-methylfuran-2-yl)methyl]benzamide (PubChem CID 60816381) has the molecular formula C17H17NO3 and a molecular weight of 283.33 g/mol. Its IUPAC name is 2-(3-hydroxyprop-1-ynyl)-N-methyl-N-[(5-methylfuran-2-yl)methyl]benzamide.

Molecular Properties

Compound Name2-(3-hydroxyprop-1-ynyl)-N-methyl-N-[(5-methylfuran-2-yl)methyl]benzamide
PubChem CID60816381
Molecular FormulaC17H17NO3
Molecular Weight283.33 g/mol
Exact Mass283.12
IUPAC Name2-(3-hydroxyprop-1-ynyl)-N-methyl-N-[(5-methylfuran-2-yl)methyl]benzamide
SMILESCc1ccc(CN(C)C(=O)c2ccccc2C#CCO)o1
InChIInChI=1S/C17H17NO3/c1-13-9-10-15(21-13)12-18(2)17(20)16-8-4-3-6-14(16)7-5-11-19/h3-4,6,8-10,19H,11-12H2,1-2H3
InChIKeyBTEBLXWJRLVKIV-UHFFFAOYSA-N
XLogP2.20
TPSA53.68 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.33
LogP ≤ 52.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-(2-amino-2-oxoethyl)-2-(3-hydroxyprop-1-ynyl)-N-methylbenzamide
CID 54921983
3-hydroxy-N,2-dimethyl-N-[(5-methylfuran-2-yl)methyl]benzamide
CID 82786543
3-(3-aminoprop-1-ynyl)-N-methyl-N-[(5-methylfuran-2-yl)methyl]pyridine-4-carboxamide
CID 66483088
N-methyl-N-[(5-methylfuran-2-yl)methyl]-2-phenoxybenzamide
CID 2481385
N,6-dimethyl-N-[(5-methylfuran-2-yl)methyl]-4-oxo-1H-pyridine-3-carboxamide
CID 103696217
4-methoxy-N-methyl-N-[(5-methylfuran-2-yl)methyl]naphthalene-1-carboxamide
CID 24517555
2-fluoro-N-[2-[methyl-[(5-methylfuran-2-yl)methyl]amino]-2-oxoethyl]benzamide
CID 31151745
2-N,5-N-dimethyl-2-N,5-N-bis[(5-methylfuran-2-yl)methyl]thiophene-2,5-dicarboxamide
CID 56809035
N-methyl-N-[(5-methylfuran-2-yl)methyl]-2-(2-methylphenyl)acetamide
CID 78791590
methyl-[(5-methylfuran-2-yl)methyl]carbamothioic S-acid
CID 115170193
2-(3-hydroxyprop-1-ynyl)-N-methyl-N-(oxolan-3-yl)benzamide
CID 82749573
N-methyl-N-[(5-methylfuran-2-yl)methyl]-2-(prop-2-ynylamino)acetamide
CID 78915164

Frequently Asked Questions

What is the IUPAC name of 2-(3-hydroxyprop-1-ynyl)-N-methyl-N-[(5-methylfuran-2-yl)methyl]benzamide?
The IUPAC name of 2-(3-hydroxyprop-1-ynyl)-N-methyl-N-[(5-methylfuran-2-yl)methyl]benzamide (CID 60816381) is 2-(3-hydroxyprop-1-ynyl)-N-methyl-N-[(5-methylfuran-2-yl)methyl]benzamide.
What is the SMILES notation for 2-(3-hydroxyprop-1-ynyl)-N-methyl-N-[(5-methylfuran-2-yl)methyl]benzamide?
The canonical SMILES for 2-(3-hydroxyprop-1-ynyl)-N-methyl-N-[(5-methylfuran-2-yl)methyl]benzamide is Cc1ccc(CN(C)C(=O)c2ccccc2C#CCO)o1.
What is the InChIKey of 2-(3-hydroxyprop-1-ynyl)-N-methyl-N-[(5-methylfuran-2-yl)methyl]benzamide?
The InChIKey is BTEBLXWJRLVKIV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17NO3/c1-13-9-10-15(21-13)12-18(2)17(20)16-8-4-3-6-14(16)7-5-11-19/h3-4,6,8-10,19H,11-12H2,1-2H3.
What are the key properties of 2-(3-hydroxyprop-1-ynyl)-N-methyl-N-[(5-methylfuran-2-yl)methyl]benzamide?
2-(3-hydroxyprop-1-ynyl)-N-methyl-N-[(5-methylfuran-2-yl)methyl]benzamide has a molecular weight of 283.33 g/mol, XLogP of 2.20, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-hydroxyprop-1-ynyl)-N-methyl-N-[(5-methylfuran-2-yl)methyl]benzamide is sourced from PubChem (CID 60816381), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).