N-[4-(3-hydroxyprop-1-ynyl)phenyl]-2-methylfuran-3-carboxamide

C15H13NO3 — CID 60804499

IUPACN-[4-(3-hydroxyprop-1-ynyl)phenyl]-2-methylfuran-3-carboxamide
SMILESCc1occc1C(=O)Nc1ccc(C#CCO)cc1
InChIInChI=1S/C15H13NO3/c1-11-14(8-10-19-11)15(18)16-13-6-4-12(5-7-13)3-2-9-17/h4-8,10,17H,9H2,1H3,(H,16,18)
InChIKeyQVKPRSZROUKMSG-UHFFFAOYSA-N
MW255.27 g/mol
LogP2.18
Rot. Bonds2

About N-[4-(3-hydroxyprop-1-ynyl)phenyl]-2-methylfuran-3-carboxamide

N-[4-(3-hydroxyprop-1-ynyl)phenyl]-2-methylfuran-3-carboxamide (PubChem CID 60804499) has the molecular formula C15H13NO3 and a molecular weight of 255.27 g/mol. Its IUPAC name is N-[4-(3-hydroxyprop-1-ynyl)phenyl]-2-methylfuran-3-carboxamide.

Molecular Properties

Compound NameN-[4-(3-hydroxyprop-1-ynyl)phenyl]-2-methylfuran-3-carboxamide
PubChem CID60804499
Molecular FormulaC15H13NO3
Molecular Weight255.27 g/mol
Exact Mass255.09
IUPAC NameN-[4-(3-hydroxyprop-1-ynyl)phenyl]-2-methylfuran-3-carboxamide
SMILESCc1occc1C(=O)Nc1ccc(C#CCO)cc1
InChIInChI=1S/C15H13NO3/c1-11-14(8-10-19-11)15(18)16-13-6-4-12(5-7-13)3-2-9-17/h4-8,10,17H,9H2,1H3,(H,16,18)
InChIKeyQVKPRSZROUKMSG-UHFFFAOYSA-N
XLogP2.18
TPSA62.47 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.27
LogP ≤ 52.18
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-iodophenyl)-2-methylfuran-3-carboxamide
CID 903791
N-[4-(3-hydroxyprop-1-ynyl)phenyl]furan-2-carboxamide
CID 60803102
N-[4-chloro-2-(3-hydroxyprop-1-ynyl)phenyl]-2-methylfuran-3-carboxamide
CID 81263552
3-[4-[(2-methylfuran-3-carbonyl)amino]phenyl]propanoic acid
CID 29261712
2-methyl-N-[4-(2,2,2-trifluoroethoxy)phenyl]furan-3-carboxamide
CID 46421851
3-[4-[(2-methylfuran-3-carbonyl)amino]phenyl]butanoic acid
CID 104501824
N-[4-(3-hydroxyprop-1-ynyl)phenyl]-4-methoxybenzamide
CID 60803282
N-[4-(3-hydroxyprop-1-ynyl)phenyl]-2,4-dioxo-1H-pyrimidine-5-carboxamide
CID 60804135
N-[4-(3-hydroxyprop-1-ynyl)phenyl]pyridine-2-carboxamide
CID 60802763
butyl 4-[(2-methylfuran-3-carbonyl)amino]benzoate
CID 2163924
N-[4-(3-hydroxyprop-1-ynyl)phenyl]-4-methylpentanamide
CID 60803615
N-[4-(3-aminoprop-1-ynyl)phenyl]-5-chloro-2-methylbenzamide
CID 82874678

Frequently Asked Questions

What is the IUPAC name of N-[4-(3-hydroxyprop-1-ynyl)phenyl]-2-methylfuran-3-carboxamide?
The IUPAC name of N-[4-(3-hydroxyprop-1-ynyl)phenyl]-2-methylfuran-3-carboxamide (CID 60804499) is N-[4-(3-hydroxyprop-1-ynyl)phenyl]-2-methylfuran-3-carboxamide.
What is the SMILES notation for N-[4-(3-hydroxyprop-1-ynyl)phenyl]-2-methylfuran-3-carboxamide?
The canonical SMILES for N-[4-(3-hydroxyprop-1-ynyl)phenyl]-2-methylfuran-3-carboxamide is Cc1occc1C(=O)Nc1ccc(C#CCO)cc1.
What is the InChIKey of N-[4-(3-hydroxyprop-1-ynyl)phenyl]-2-methylfuran-3-carboxamide?
The InChIKey is QVKPRSZROUKMSG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13NO3/c1-11-14(8-10-19-11)15(18)16-13-6-4-12(5-7-13)3-2-9-17/h4-8,10,17H,9H2,1H3,(H,16,18).
What are the key properties of N-[4-(3-hydroxyprop-1-ynyl)phenyl]-2-methylfuran-3-carboxamide?
N-[4-(3-hydroxyprop-1-ynyl)phenyl]-2-methylfuran-3-carboxamide has a molecular weight of 255.27 g/mol, XLogP of 2.18, 2 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]-2-methylfuran-3-carboxamide is sourced from PubChem (CID 60804499), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).