N-(2,3-dihydro-1-benzofuran-3-yl)-2-prop-2-ynylpent-4-ynamide

C16H15NO2 — CID 91653348

IUPACN-(2,3-dihydro-1-benzofuran-3-yl)-2-prop-2-ynylpent-4-ynamide
SMILESC#CCC(CC#C)C(=O)NC1COc2ccccc21
InChIInChI=1S/C16H15NO2/c1-3-7-12(8-4-2)16(18)17-14-11-19-15-10-6-5-9-13(14)15/h1-2,5-6,9-10,12,14H,7-8,11H2,(H,17,18)
InChIKeyCGRDKEIYBYQSPB-UHFFFAOYSA-N
MW253.30 g/mol
LogP1.90
Rot. Bonds4

About N-(2,3-dihydro-1-benzofuran-3-yl)-2-prop-2-ynylpent-4-ynamide

N-(2,3-dihydro-1-benzofuran-3-yl)-2-prop-2-ynylpent-4-ynamide (PubChem CID 91653348) has the molecular formula C16H15NO2 and a molecular weight of 253.30 g/mol. Its IUPAC name is N-(2,3-dihydro-1-benzofuran-3-yl)-2-prop-2-ynylpent-4-ynamide.

Molecular Properties

Compound NameN-(2,3-dihydro-1-benzofuran-3-yl)-2-prop-2-ynylpent-4-ynamide
PubChem CID91653348
Molecular FormulaC16H15NO2
Molecular Weight253.30 g/mol
Exact Mass253.11
IUPAC NameN-(2,3-dihydro-1-benzofuran-3-yl)-2-prop-2-ynylpent-4-ynamide
SMILESC#CCC(CC#C)C(=O)NC1COc2ccccc21
InChIInChI=1S/C16H15NO2/c1-3-7-12(8-4-2)16(18)17-14-11-19-15-10-6-5-9-13(14)15/h1-2,5-6,9-10,12,14H,7-8,11H2,(H,17,18)
InChIKeyCGRDKEIYBYQSPB-UHFFFAOYSA-N
XLogP1.90
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.30
LogP ≤ 51.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2,3-dihydro-1-benzofuran-3-ylurea
CID 62065035
2-(2,3-dihydro-1-benzofuran-3-ylamino)-N-prop-2-ynylpropanamide
CID 62067048
(2R)-2-amino-N-(2,3-dihydro-1-benzofuran-3-yl)-3-methylbutanamide
CID 79012503
(2S)-2-amino-N-(2,3-dihydro-1-benzofuran-3-yl)-3,3-dimethylbutanamide;hydrochloride
CID 119759945
3-(2,3-dihydro-1-benzofuran-3-yl)-1-ethyl-1-methylurea
CID 115604588
2-cyano-N-(2,3-dihydro-1-benzofuran-3-yl)-2-methylpropanamide
CID 62070749
2-(4-chlorophenyl)-N-(2,3-dihydro-1-benzofuran-3-yl)acetamide
CID 110751602
N-(2,3-dihydro-1-benzofuran-3-yl)-3-piperidin-1-ylpropanamide
CID 91785327
4-(azepan-1-yl)-N-(2,3-dihydro-1-benzofuran-3-yl)-4-oxobutanamide
CID 135110920
2-[(2,3-dihydro-1-benzofuran-3-ylcarbamoylamino)methyl]pentanoic acid
CID 65226384
4-chloro-N-(2,3-dihydro-1-benzofuran-3-yl)benzamide
CID 110751613
2-bromo-N-(2,3-dihydro-1-benzofuran-3-yl)benzamide
CID 62070746

Frequently Asked Questions

What is the IUPAC name of N-(2,3-dihydro-1-benzofuran-3-yl)-2-prop-2-ynylpent-4-ynamide?
The IUPAC name of N-(2,3-dihydro-1-benzofuran-3-yl)-2-prop-2-ynylpent-4-ynamide (CID 91653348) is N-(2,3-dihydro-1-benzofuran-3-yl)-2-prop-2-ynylpent-4-ynamide.
What is the SMILES notation for N-(2,3-dihydro-1-benzofuran-3-yl)-2-prop-2-ynylpent-4-ynamide?
The canonical SMILES for N-(2,3-dihydro-1-benzofuran-3-yl)-2-prop-2-ynylpent-4-ynamide is C#CCC(CC#C)C(=O)NC1COc2ccccc21.
What is the InChIKey of N-(2,3-dihydro-1-benzofuran-3-yl)-2-prop-2-ynylpent-4-ynamide?
The InChIKey is CGRDKEIYBYQSPB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15NO2/c1-3-7-12(8-4-2)16(18)17-14-11-19-15-10-6-5-9-13(14)15/h1-2,5-6,9-10,12,14H,7-8,11H2,(H,17,18).
What are the key properties of N-(2,3-dihydro-1-benzofuran-3-yl)-2-prop-2-ynylpent-4-ynamide?
N-(2,3-dihydro-1-benzofuran-3-yl)-2-prop-2-ynylpent-4-ynamide has a molecular weight of 253.30 g/mol, XLogP of 1.90, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,3-dihydro-1-benzofuran-3-yl)-2-prop-2-ynylpent-4-ynamide is sourced from PubChem (CID 91653348), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).