N-[3-(3-aminoprop-1-ynyl)-4-methylphenyl]furan-3-carboxamide

C15H14N2O2 — CID 55202900

IUPACN-[3-(3-aminoprop-1-ynyl)-4-methylphenyl]furan-3-carboxamide
SMILESCc1ccc(NC(=O)c2ccoc2)cc1C#CCN
InChIInChI=1S/C15H14N2O2/c1-11-4-5-14(9-12(11)3-2-7-16)17-15(18)13-6-8-19-10-13/h4-6,8-10H,7,16H2,1H3,(H,17,18)
InChIKeyDOUBPFSQMZXGTN-UHFFFAOYSA-N
MW254.29 g/mol
LogP2.15
Rot. Bonds2

About N-[3-(3-aminoprop-1-ynyl)-4-methylphenyl]furan-3-carboxamide

N-[3-(3-aminoprop-1-ynyl)-4-methylphenyl]furan-3-carboxamide (PubChem CID 55202900) has the molecular formula C15H14N2O2 and a molecular weight of 254.29 g/mol. Its IUPAC name is N-[3-(3-aminoprop-1-ynyl)-4-methylphenyl]furan-3-carboxamide.

Molecular Properties

Compound NameN-[3-(3-aminoprop-1-ynyl)-4-methylphenyl]furan-3-carboxamide
PubChem CID55202900
Molecular FormulaC15H14N2O2
Molecular Weight254.29 g/mol
Exact Mass254.11
IUPAC NameN-[3-(3-aminoprop-1-ynyl)-4-methylphenyl]furan-3-carboxamide
SMILESCc1ccc(NC(=O)c2ccoc2)cc1C#CCN
InChIInChI=1S/C15H14N2O2/c1-11-4-5-14(9-12(11)3-2-7-16)17-15(18)13-6-8-19-10-13/h4-6,8-10H,7,16H2,1H3,(H,17,18)
InChIKeyDOUBPFSQMZXGTN-UHFFFAOYSA-N
XLogP2.15
TPSA68.26 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.29
LogP ≤ 52.15
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-[3-(4-hydroxybut-1-ynyl)-4-methylphenyl]furan-3-carboxamide
CID 63334275
N-[3-(3-aminoprop-1-ynyl)-4-fluorophenyl]furan-3-carboxamide
CID 104780865
N-[3-(3-aminoprop-1-ynyl)-4-methylphenyl]-4-methylbenzamide
CID 63334244
N-[3-(3-aminoprop-1-ynyl)-4-methylphenyl]benzamide
CID 63334197
N-[3-(3-aminoprop-1-ynyl)-4-methylphenyl]pyrimidine-5-carboxamide
CID 102922475
N-[3-(3-aminoprop-1-ynyl)-4-methylphenyl]pyridine-2-carboxamide
CID 63334015
N-[3-(3-aminoprop-1-ynyl)-4-fluorophenyl]-5-methylfuran-3-carboxamide
CID 114822227
1-[3-(3-aminoprop-1-ynyl)-4-methylphenyl]-3-cyclopropylurea
CID 55203285
N-[3-(3-aminoprop-1-ynyl)-4-methylphenyl]-2-methoxy-2-methylpropanamide
CID 103021981
N-[4-(3-aminoprop-1-ynyl)-3-fluorophenyl]-5-methylfuran-3-carboxamide
CID 114822220
N-[4-(3-aminoprop-1-ynyl)-2-ethylphenyl]furan-3-carboxamide
CID 81292862
N-[3-(3-aminoprop-1-ynyl)-4-methylphenyl]-3-methoxy-3-methylbutanamide
CID 103021982

Frequently Asked Questions

What is the IUPAC name of N-[3-(3-aminoprop-1-ynyl)-4-methylphenyl]furan-3-carboxamide?
The IUPAC name of N-[3-(3-aminoprop-1-ynyl)-4-methylphenyl]furan-3-carboxamide (CID 55202900) is N-[3-(3-aminoprop-1-ynyl)-4-methylphenyl]furan-3-carboxamide.
What is the SMILES notation for N-[3-(3-aminoprop-1-ynyl)-4-methylphenyl]furan-3-carboxamide?
The canonical SMILES for N-[3-(3-aminoprop-1-ynyl)-4-methylphenyl]furan-3-carboxamide is Cc1ccc(NC(=O)c2ccoc2)cc1C#CCN.
What is the InChIKey of N-[3-(3-aminoprop-1-ynyl)-4-methylphenyl]furan-3-carboxamide?
The InChIKey is DOUBPFSQMZXGTN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14N2O2/c1-11-4-5-14(9-12(11)3-2-7-16)17-15(18)13-6-8-19-10-13/h4-6,8-10H,7,16H2,1H3,(H,17,18).
What are the key properties of N-[3-(3-aminoprop-1-ynyl)-4-methylphenyl]furan-3-carboxamide?
N-[3-(3-aminoprop-1-ynyl)-4-methylphenyl]furan-3-carboxamide has a molecular weight of 254.29 g/mol, XLogP of 2.15, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(3-aminoprop-1-ynyl)-4-methylphenyl]furan-3-carboxamide is sourced from PubChem (CID 55202900), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).