2-(2,3-dihydro-1-benzofuran-3-ylamino)-N-prop-2-ynylpropanamide

C14H16N2O2 — CID 62067048

IUPAC2-(2,3-dihydro-1-benzofuran-3-ylamino)-N-prop-2-ynylpropanamide
SMILESC#CCNC(=O)C(C)NC1COc2ccccc21
InChIInChI=1S/C14H16N2O2/c1-3-8-15-14(17)10(2)16-12-9-18-13-7-5-4-6-11(12)13/h1,4-7,10,12,16H,8-9H2,2H3,(H,15,17)
InChIKeyCDFVDBQLMAFBJF-UHFFFAOYSA-N
MW244.29 g/mol
LogP0.85
Rot. Bonds4

About 2-(2,3-dihydro-1-benzofuran-3-ylamino)-N-prop-2-ynylpropanamide

2-(2,3-dihydro-1-benzofuran-3-ylamino)-N-prop-2-ynylpropanamide (PubChem CID 62067048) has the molecular formula C14H16N2O2 and a molecular weight of 244.29 g/mol. Its IUPAC name is 2-(2,3-dihydro-1-benzofuran-3-ylamino)-N-prop-2-ynylpropanamide.

Molecular Properties

Compound Name2-(2,3-dihydro-1-benzofuran-3-ylamino)-N-prop-2-ynylpropanamide
PubChem CID62067048
Molecular FormulaC14H16N2O2
Molecular Weight244.29 g/mol
Exact Mass244.12
IUPAC Name2-(2,3-dihydro-1-benzofuran-3-ylamino)-N-prop-2-ynylpropanamide
SMILESC#CCNC(=O)C(C)NC1COc2ccccc21
InChIInChI=1S/C14H16N2O2/c1-3-8-15-14(17)10(2)16-12-9-18-13-7-5-4-6-11(12)13/h1,4-7,10,12,16H,8-9H2,2H3,(H,15,17)
InChIKeyCDFVDBQLMAFBJF-UHFFFAOYSA-N
XLogP0.85
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.29
LogP ≤ 50.85
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

2-(2,3-dihydro-1-benzofuran-3-ylamino)-N-phenylpropanamide
CID 62064676
N-(2,3-dihydro-1-benzofuran-3-yl)-2-prop-2-ynylpent-4-ynamide
CID 91653348
2-(3,4-dihydro-2H-chromen-4-ylamino)-N-(2-methylpropyl)propanamide
CID 60677318
2-anilino-N-prop-2-ynylpropanamide
CID 43112793
N-methyl-2-[(3-methyl-3,4-dihydro-2H-chromen-4-yl)amino]propanamide
CID 104524073
methyl 2-(2,3-dihydro-1-benzofuran-3-ylamino)butanoate
CID 113292622
(2R)-2-amino-N-(2,3-dihydro-1-benzofuran-3-yl)-3-methylbutanamide
CID 79012503
2-(4-phenylanilino)-N-prop-2-ynylpropanamide
CID 60720749
(2R)-2-(2,3-dihydro-1-benzofuran-3-ylmethylamino)propanoic acid
CID 83194430
2,3-dihydro-1-benzofuran-3-ylurea
CID 62065035
2-(3,4-dihydro-2H-chromen-4-ylamino)-N-pentan-2-ylpropanamide
CID 60722358
(3S)-N-[(2R)-1-oxo-1-piperidin-1-ylpropan-2-yl]-2,3-dihydro-1-benzofuran-3-carboxamide
CID 97213546

Frequently Asked Questions

What is the IUPAC name of 2-(2,3-dihydro-1-benzofuran-3-ylamino)-N-prop-2-ynylpropanamide?
The IUPAC name of 2-(2,3-dihydro-1-benzofuran-3-ylamino)-N-prop-2-ynylpropanamide (CID 62067048) is 2-(2,3-dihydro-1-benzofuran-3-ylamino)-N-prop-2-ynylpropanamide.
What is the SMILES notation for 2-(2,3-dihydro-1-benzofuran-3-ylamino)-N-prop-2-ynylpropanamide?
The canonical SMILES for 2-(2,3-dihydro-1-benzofuran-3-ylamino)-N-prop-2-ynylpropanamide is C#CCNC(=O)C(C)NC1COc2ccccc21.
What is the InChIKey of 2-(2,3-dihydro-1-benzofuran-3-ylamino)-N-prop-2-ynylpropanamide?
The InChIKey is CDFVDBQLMAFBJF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N2O2/c1-3-8-15-14(17)10(2)16-12-9-18-13-7-5-4-6-11(12)13/h1,4-7,10,12,16H,8-9H2,2H3,(H,15,17).
What are the key properties of 2-(2,3-dihydro-1-benzofuran-3-ylamino)-N-prop-2-ynylpropanamide?
2-(2,3-dihydro-1-benzofuran-3-ylamino)-N-prop-2-ynylpropanamide has a molecular weight of 244.29 g/mol, XLogP of 0.85, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,3-dihydro-1-benzofuran-3-ylamino)-N-prop-2-ynylpropanamide is sourced from PubChem (CID 62067048), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).