N-(2,3-dihydro-1-benzofuran-2-ylmethyl)-N-propylprop-2-enamide

C15H19NO2 — CID 146108503

IUPACN-(2,3-dihydro-1-benzofuran-2-ylmethyl)-N-propylprop-2-enamide
SMILESC=CC(=O)N(CCC)CC1Cc2ccccc2O1
InChIInChI=1S/C15H19NO2/c1-3-9-16(15(17)4-2)11-13-10-12-7-5-6-8-14(12)18-13/h4-8,13H,2-3,9-11H2,1H3
InChIKeyTZRMXCWPRJPULK-UHFFFAOYSA-N
MW245.32 g/mol
LogP2.41
Rot. Bonds5

About N-(2,3-dihydro-1-benzofuran-2-ylmethyl)-N-propylprop-2-enamide

N-(2,3-dihydro-1-benzofuran-2-ylmethyl)-N-propylprop-2-enamide (PubChem CID 146108503) has the molecular formula C15H19NO2 and a molecular weight of 245.32 g/mol. Its IUPAC name is N-(2,3-dihydro-1-benzofuran-2-ylmethyl)-N-propylprop-2-enamide.

Molecular Properties

Compound NameN-(2,3-dihydro-1-benzofuran-2-ylmethyl)-N-propylprop-2-enamide
PubChem CID146108503
Molecular FormulaC15H19NO2
Molecular Weight245.32 g/mol
Exact Mass245.14
IUPAC NameN-(2,3-dihydro-1-benzofuran-2-ylmethyl)-N-propylprop-2-enamide
SMILESC=CC(=O)N(CCC)CC1Cc2ccccc2O1
InChIInChI=1S/C15H19NO2/c1-3-9-16(15(17)4-2)11-13-10-12-7-5-6-8-14(12)18-13/h4-8,13H,2-3,9-11H2,1H3
InChIKeyTZRMXCWPRJPULK-UHFFFAOYSA-N
XLogP2.41
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.32
LogP ≤ 52.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

methyl 3-[2,3-dihydro-1-benzofuran-2-ylmethyl(methyl)amino]propanoate
CID 66364601
N-(2,3-dihydro-1-benzofuran-2-ylmethyl)prop-2-enamide
CID 61003696
1-(2,3-dihydro-1-benzofuran-2-yl)-N,N-dimethylmethanamine
CID 2842479
N-(2,3-dihydro-1-benzofuran-2-ylmethyl)-N-propylazetidin-3-amine
CID 66363424
2-[2,3-dihydro-1-benzofuran-2-ylmethyl(prop-2-enyl)amino]ethanol
CID 115698014
3-[2,3-dihydro-1-benzofuran-2-ylmethyl(propan-2-yl)amino]propanoic acid
CID 66364191
2-(2,3-dihydro-1-benzofuran-2-ylmethyl)-4-methylpentanoic acid
CID 66365369
ethyl 2-[cyclopropyl(2,3-dihydro-1-benzofuran-2-ylmethyl)amino]acetate
CID 63663084
4-N-(2,3-dihydro-1-benzofuran-2-ylmethyl)-4-N-propylcyclohexane-1,4-diamine
CID 79117519
(2R)-2-(2,3-dihydro-1-benzofuran-2-ylmethoxy)propanoic acid
CID 104875432
N-(2,3-dihydro-1-benzofuran-2-ylmethyl)-2-(prop-2-enylamino)acetamide
CID 79279793
N-(2,3-dihydro-1-benzofuran-2-ylmethyl)-N-propylpyrrolidin-3-amine
CID 66364981

Frequently Asked Questions

What is the IUPAC name of N-(2,3-dihydro-1-benzofuran-2-ylmethyl)-N-propylprop-2-enamide?
The IUPAC name of N-(2,3-dihydro-1-benzofuran-2-ylmethyl)-N-propylprop-2-enamide (CID 146108503) is N-(2,3-dihydro-1-benzofuran-2-ylmethyl)-N-propylprop-2-enamide.
What is the SMILES notation for N-(2,3-dihydro-1-benzofuran-2-ylmethyl)-N-propylprop-2-enamide?
The canonical SMILES for N-(2,3-dihydro-1-benzofuran-2-ylmethyl)-N-propylprop-2-enamide is C=CC(=O)N(CCC)CC1Cc2ccccc2O1.
What is the InChIKey of N-(2,3-dihydro-1-benzofuran-2-ylmethyl)-N-propylprop-2-enamide?
The InChIKey is TZRMXCWPRJPULK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19NO2/c1-3-9-16(15(17)4-2)11-13-10-12-7-5-6-8-14(12)18-13/h4-8,13H,2-3,9-11H2,1H3.
What are the key properties of N-(2,3-dihydro-1-benzofuran-2-ylmethyl)-N-propylprop-2-enamide?
N-(2,3-dihydro-1-benzofuran-2-ylmethyl)-N-propylprop-2-enamide has a molecular weight of 245.32 g/mol, XLogP of 2.41, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,3-dihydro-1-benzofuran-2-ylmethyl)-N-propylprop-2-enamide is sourced from PubChem (CID 146108503), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).