N-(5-aminopentyl)-N-methyl-2,3-dihydro-1-benzofuran-5-carboxamide

C15H22N2O2 — CID 107206756

IUPACN-(5-aminopentyl)-N-methyl-2,3-dihydro-1-benzofuran-5-carboxamide
SMILESCN(CCCCCN)C(=O)c1ccc2c(c1)CCO2
InChIInChI=1S/C15H22N2O2/c1-17(9-4-2-3-8-16)15(18)13-5-6-14-12(11-13)7-10-19-14/h5-6,11H,2-4,7-10,16H2,1H3
InChIKeyHJLRMYHXYPZVGJ-UHFFFAOYSA-N
MW262.35 g/mol
LogP1.82
Rot. Bonds6

About N-(5-aminopentyl)-N-methyl-2,3-dihydro-1-benzofuran-5-carboxamide

N-(5-aminopentyl)-N-methyl-2,3-dihydro-1-benzofuran-5-carboxamide (PubChem CID 107206756) has the molecular formula C15H22N2O2 and a molecular weight of 262.35 g/mol. Its IUPAC name is N-(5-aminopentyl)-N-methyl-2,3-dihydro-1-benzofuran-5-carboxamide.

Molecular Properties

Compound NameN-(5-aminopentyl)-N-methyl-2,3-dihydro-1-benzofuran-5-carboxamide
PubChem CID107206756
Molecular FormulaC15H22N2O2
Molecular Weight262.35 g/mol
Exact Mass262.17
IUPAC NameN-(5-aminopentyl)-N-methyl-2,3-dihydro-1-benzofuran-5-carboxamide
SMILESCN(CCCCCN)C(=O)c1ccc2c(c1)CCO2
InChIInChI=1S/C15H22N2O2/c1-17(9-4-2-3-8-16)15(18)13-5-6-14-12(11-13)7-10-19-14/h5-6,11H,2-4,7-10,16H2,1H3
InChIKeyHJLRMYHXYPZVGJ-UHFFFAOYSA-N
XLogP1.82
TPSA55.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.35
LogP ≤ 51.82
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-butyl-N-methyl-3,4-dihydro-2H-chromene-6-carboxamide
CID 110693378
N-(2-aminopropyl)-N-methyl-2,3-dihydro-1-benzofuran-5-carboxamide
CID 63755933
N-methyl-N-[5-(3-phenyl-1H-pyrazol-5-yl)pentyl]-2,3-dihydro-1-benzofuran-5-carboxamide
CID 55814053
N-(5-aminopentyl)-N-[2-(propan-2-ylamino)pyrimidin-4-yl]-2,3-dihydro-1-benzofuran-5-carboxamide
CID 58702581
N-[4-[2,3-dihydro-1H-indene-5-carbonyl(methyl)amino]butyl]-N-methyl-2,3-dihydro-1H-indene-5-carboxamide
CID 86971881
N-(2-anilino-2-oxoethyl)-N-methyl-2,3-dihydro-1-benzofuran-5-carboxamide
CID 86979366
N-(4-aminophenyl)-N-ethyl-2,3-dihydro-1-benzofuran-5-carboxamide
CID 63233821
N-(2-chloroethyl)-N-ethyl-2,3-dihydro-1-benzofuran-5-carboxamide
CID 63395170
N-(5-aminopentyl)-3-methoxy-N,4-dimethylbenzamide
CID 107206573
N-(5-aminopentyl)-4-fluoro-3-methoxy-N-methylbenzamide
CID 107206607
N-(4-aminobutyl)-N-methylbenzamide
CID 119088367
N'-(3,4-dihydro-2H-chromen-6-ylmethyl)-N'-methylbutane-1,4-diamine
CID 115201324

Frequently Asked Questions

What is the IUPAC name of N-(5-aminopentyl)-N-methyl-2,3-dihydro-1-benzofuran-5-carboxamide?
The IUPAC name of N-(5-aminopentyl)-N-methyl-2,3-dihydro-1-benzofuran-5-carboxamide (CID 107206756) is N-(5-aminopentyl)-N-methyl-2,3-dihydro-1-benzofuran-5-carboxamide.
What is the SMILES notation for N-(5-aminopentyl)-N-methyl-2,3-dihydro-1-benzofuran-5-carboxamide?
The canonical SMILES for N-(5-aminopentyl)-N-methyl-2,3-dihydro-1-benzofuran-5-carboxamide is CN(CCCCCN)C(=O)c1ccc2c(c1)CCO2.
What is the InChIKey of N-(5-aminopentyl)-N-methyl-2,3-dihydro-1-benzofuran-5-carboxamide?
The InChIKey is HJLRMYHXYPZVGJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2O2/c1-17(9-4-2-3-8-16)15(18)13-5-6-14-12(11-13)7-10-19-14/h5-6,11H,2-4,7-10,16H2,1H3.
What are the key properties of N-(5-aminopentyl)-N-methyl-2,3-dihydro-1-benzofuran-5-carboxamide?
N-(5-aminopentyl)-N-methyl-2,3-dihydro-1-benzofuran-5-carboxamide has a molecular weight of 262.35 g/mol, XLogP of 1.82, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-aminopentyl)-N-methyl-2,3-dihydro-1-benzofuran-5-carboxamide is sourced from PubChem (CID 107206756), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).