N-[3-(2-methylpropoxy)propyl]-2,3-dihydro-1-benzofuran-2-carboxamide

C16H23NO3 — CID 51073673

IUPACN-[3-(2-methylpropoxy)propyl]-2,3-dihydro-1-benzofuran-2-carboxamide
SMILESCC(C)COCCCNC(=O)C1Cc2ccccc2O1
InChIInChI=1S/C16H23NO3/c1-12(2)11-19-9-5-8-17-16(18)15-10-13-6-3-4-7-14(13)20-15/h3-4,6-7,12,15H,5,8-11H2,1-2H3,(H,17,18)
InChIKeyDUPJHTSPCYZXSR-UHFFFAOYSA-N
MW277.36 g/mol
LogP2.17
Rot. Bonds7

About N-[3-(2-methylpropoxy)propyl]-2,3-dihydro-1-benzofuran-2-carboxamide

N-[3-(2-methylpropoxy)propyl]-2,3-dihydro-1-benzofuran-2-carboxamide (PubChem CID 51073673) has the molecular formula C16H23NO3 and a molecular weight of 277.36 g/mol. Its IUPAC name is N-[3-(2-methylpropoxy)propyl]-2,3-dihydro-1-benzofuran-2-carboxamide.

Molecular Properties

Compound NameN-[3-(2-methylpropoxy)propyl]-2,3-dihydro-1-benzofuran-2-carboxamide
PubChem CID51073673
Molecular FormulaC16H23NO3
Molecular Weight277.36 g/mol
Exact Mass277.17
IUPAC NameN-[3-(2-methylpropoxy)propyl]-2,3-dihydro-1-benzofuran-2-carboxamide
SMILESCC(C)COCCCNC(=O)C1Cc2ccccc2O1
InChIInChI=1S/C16H23NO3/c1-12(2)11-19-9-5-8-17-16(18)15-10-13-6-3-4-7-14(13)20-15/h3-4,6-7,12,15H,5,8-11H2,1-2H3,(H,17,18)
InChIKeyDUPJHTSPCYZXSR-UHFFFAOYSA-N
XLogP2.17
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.36
LogP ≤ 52.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-(3-bromopropyl)-2,3-dihydro-1-benzofuran-2-carboxamide
CID 43133562
N-[2-(dimethylamino)ethyl]-2,3-dihydro-1-benzofuran-2-carboxamide
CID 110698814
N-(2-bromoethyl)-2,3-dihydro-1-benzofuran-2-carboxamide
CID 43133406
(2R)-N-[2-(4-tert-butylphenoxy)ethyl]-2,3-dihydro-1-benzofuran-2-carboxamide
CID 37007441
N-[4-(N-methylanilino)butyl]-2,3-dihydro-1-benzofuran-2-carboxamide
CID 60566180
N-[2-(ethylamino)ethyl]-2,3-dihydro-1-benzofuran-2-carboxamide;hydrochloride
CID 119507846
N-(3-methylbutan-2-yl)-2,3-dihydro-1-benzofuran-2-carboxamide
CID 47127876
5-chloro-N-(3-propan-2-yloxypropyl)-2,3-dihydro-1-benzofuran-2-carboxamide
CID 47123343
N-(2-amino-4-methylpentyl)-2,3-dihydro-1-benzofuran-2-carboxamide
CID 107158766
N-(cyanomethyl)-2,3-dihydro-1-benzofuran-2-carboxamide
CID 60896123
N-[(4-bromocyclohexyl)methyl]-2,3-dihydro-1-benzofuran-2-carboxamide
CID 106134784
(2R)-N-[2-(3,4-dimethoxyphenyl)ethyl]-2,3-dihydro-1-benzofuran-2-carboxamide
CID 9083429

Frequently Asked Questions

What is the IUPAC name of N-[3-(2-methylpropoxy)propyl]-2,3-dihydro-1-benzofuran-2-carboxamide?
The IUPAC name of N-[3-(2-methylpropoxy)propyl]-2,3-dihydro-1-benzofuran-2-carboxamide (CID 51073673) is N-[3-(2-methylpropoxy)propyl]-2,3-dihydro-1-benzofuran-2-carboxamide.
What is the SMILES notation for N-[3-(2-methylpropoxy)propyl]-2,3-dihydro-1-benzofuran-2-carboxamide?
The canonical SMILES for N-[3-(2-methylpropoxy)propyl]-2,3-dihydro-1-benzofuran-2-carboxamide is CC(C)COCCCNC(=O)C1Cc2ccccc2O1.
What is the InChIKey of N-[3-(2-methylpropoxy)propyl]-2,3-dihydro-1-benzofuran-2-carboxamide?
The InChIKey is DUPJHTSPCYZXSR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23NO3/c1-12(2)11-19-9-5-8-17-16(18)15-10-13-6-3-4-7-14(13)20-15/h3-4,6-7,12,15H,5,8-11H2,1-2H3,(H,17,18).
What are the key properties of N-[3-(2-methylpropoxy)propyl]-2,3-dihydro-1-benzofuran-2-carboxamide?
N-[3-(2-methylpropoxy)propyl]-2,3-dihydro-1-benzofuran-2-carboxamide has a molecular weight of 277.36 g/mol, XLogP of 2.17, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(2-methylpropoxy)propyl]-2,3-dihydro-1-benzofuran-2-carboxamide is sourced from PubChem (CID 51073673), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).