N-[2-(3-aminoprop-1-ynyl)-5-methylphenyl]-2,5-dimethylfuran-3-carboxamide

C17H18N2O2 — CID 82750935

IUPACN-[2-(3-aminoprop-1-ynyl)-5-methylphenyl]-2,5-dimethylfuran-3-carboxamide
SMILESCc1ccc(C#CCN)c(NC(=O)c2cc(C)oc2C)c1
InChIInChI=1S/C17H18N2O2/c1-11-6-7-14(5-4-8-18)16(9-11)19-17(20)15-10-12(2)21-13(15)3/h6-7,9-10H,8,18H2,1-3H3,(H,19,20)
InChIKeyLRDVZQAOOBHZSF-UHFFFAOYSA-N
MW282.34 g/mol
LogP2.77
Rot. Bonds2

About N-[2-(3-aminoprop-1-ynyl)-5-methylphenyl]-2,5-dimethylfuran-3-carboxamide

N-[2-(3-aminoprop-1-ynyl)-5-methylphenyl]-2,5-dimethylfuran-3-carboxamide (PubChem CID 82750935) has the molecular formula C17H18N2O2 and a molecular weight of 282.34 g/mol. Its IUPAC name is N-[2-(3-aminoprop-1-ynyl)-5-methylphenyl]-2,5-dimethylfuran-3-carboxamide.

Molecular Properties

Compound NameN-[2-(3-aminoprop-1-ynyl)-5-methylphenyl]-2,5-dimethylfuran-3-carboxamide
PubChem CID82750935
Molecular FormulaC17H18N2O2
Molecular Weight282.34 g/mol
Exact Mass282.14
IUPAC NameN-[2-(3-aminoprop-1-ynyl)-5-methylphenyl]-2,5-dimethylfuran-3-carboxamide
SMILESCc1ccc(C#CCN)c(NC(=O)c2cc(C)oc2C)c1
InChIInChI=1S/C17H18N2O2/c1-11-6-7-14(5-4-8-18)16(9-11)19-17(20)15-10-12(2)21-13(15)3/h6-7,9-10H,8,18H2,1-3H3,(H,19,20)
InChIKeyLRDVZQAOOBHZSF-UHFFFAOYSA-N
XLogP2.77
TPSA68.26 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.34
LogP ≤ 52.77
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-[2-(3-aminoprop-1-ynyl)-5-chlorophenyl]-2,5-dimethylfuran-3-carboxamide
CID 81269162
N-[2-(3-aminoprop-1-ynyl)-5-methylphenyl]-2,5-dibromothiophene-3-carboxamide
CID 107964056
N-[2-(3-aminoprop-1-ynyl)-5-methylphenyl]-4-methyl-1,3-oxazole-5-carboxamide
CID 82766354
N-[2-(3-aminoprop-1-ynyl)-5-methylphenyl]-3-methylthiophene-2-carboxamide
CID 82766055
N-[2-(3-aminoprop-1-ynyl)-5-methylphenyl]-2-oxo-1H-pyridine-3-carboxamide
CID 82750300
N-[2-(3-aminoprop-1-ynyl)-5-methylphenyl]-1,2-oxazole-3-carboxamide
CID 82766056
N-[2-(3-aminoprop-1-ynyl)-5-methylphenyl]-4-methyl-1,3-thiazole-5-carboxamide
CID 82767055
2-(3-aminoprop-1-ynyl)-5-methyl-N-(4-methyl-3-pyridinyl)benzamide
CID 81112518
N-[2-(3-aminoprop-1-ynyl)-5-methylphenyl]-5-fluoropyridine-3-carboxamide
CID 104786328
N-[2-(3-hydroxyprop-1-ynyl)-5-methylphenyl]-5-methylfuran-2-carboxamide
CID 82766349
N-[2-(3-aminoprop-1-ynyl)-5-methylphenyl]heptanamide
CID 114753360
N-[2-(3-aminoprop-1-ynyl)-5-methylphenyl]octanamide
CID 82750402

Frequently Asked Questions

What is the IUPAC name of N-[2-(3-aminoprop-1-ynyl)-5-methylphenyl]-2,5-dimethylfuran-3-carboxamide?
The IUPAC name of N-[2-(3-aminoprop-1-ynyl)-5-methylphenyl]-2,5-dimethylfuran-3-carboxamide (CID 82750935) is N-[2-(3-aminoprop-1-ynyl)-5-methylphenyl]-2,5-dimethylfuran-3-carboxamide.
What is the SMILES notation for N-[2-(3-aminoprop-1-ynyl)-5-methylphenyl]-2,5-dimethylfuran-3-carboxamide?
The canonical SMILES for N-[2-(3-aminoprop-1-ynyl)-5-methylphenyl]-2,5-dimethylfuran-3-carboxamide is Cc1ccc(C#CCN)c(NC(=O)c2cc(C)oc2C)c1.
What is the InChIKey of N-[2-(3-aminoprop-1-ynyl)-5-methylphenyl]-2,5-dimethylfuran-3-carboxamide?
The InChIKey is LRDVZQAOOBHZSF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18N2O2/c1-11-6-7-14(5-4-8-18)16(9-11)19-17(20)15-10-12(2)21-13(15)3/h6-7,9-10H,8,18H2,1-3H3,(H,19,20).
What are the key properties of N-[2-(3-aminoprop-1-ynyl)-5-methylphenyl]-2,5-dimethylfuran-3-carboxamide?
N-[2-(3-aminoprop-1-ynyl)-5-methylphenyl]-2,5-dimethylfuran-3-carboxamide has a molecular weight of 282.34 g/mol, XLogP of 2.77, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(3-aminoprop-1-ynyl)-5-methylphenyl]-2,5-dimethylfuran-3-carboxamide is sourced from PubChem (CID 82750935), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).