N-(4-amino-1-methoxybutan-2-yl)-2,3-dihydro-1-benzofuran-3-carboxamide

C14H20N2O3 — CID 106152017

IUPACN-(4-amino-1-methoxybutan-2-yl)-2,3-dihydro-1-benzofuran-3-carboxamide
SMILESCOCC(CCN)NC(=O)C1COc2ccccc21
InChIInChI=1S/C14H20N2O3/c1-18-8-10(6-7-15)16-14(17)12-9-19-13-5-3-2-4-11(12)13/h2-5,10,12H,6-9,15H2,1H3,(H,16,17)
InChIKeySYHOCKCIYOBOGE-UHFFFAOYSA-N
MW264.32 g/mol
LogP0.64
Rot. Bonds6

About N-(4-amino-1-methoxybutan-2-yl)-2,3-dihydro-1-benzofuran-3-carboxamide

N-(4-amino-1-methoxybutan-2-yl)-2,3-dihydro-1-benzofuran-3-carboxamide (PubChem CID 106152017) has the molecular formula C14H20N2O3 and a molecular weight of 264.32 g/mol. Its IUPAC name is N-(4-amino-1-methoxybutan-2-yl)-2,3-dihydro-1-benzofuran-3-carboxamide.

Molecular Properties

Compound NameN-(4-amino-1-methoxybutan-2-yl)-2,3-dihydro-1-benzofuran-3-carboxamide
PubChem CID106152017
Molecular FormulaC14H20N2O3
Molecular Weight264.32 g/mol
Exact Mass264.15
IUPAC NameN-(4-amino-1-methoxybutan-2-yl)-2,3-dihydro-1-benzofuran-3-carboxamide
SMILESCOCC(CCN)NC(=O)C1COc2ccccc21
InChIInChI=1S/C14H20N2O3/c1-18-8-10(6-7-15)16-14(17)12-9-19-13-5-3-2-4-11(12)13/h2-5,10,12H,6-9,15H2,1H3,(H,16,17)
InChIKeySYHOCKCIYOBOGE-UHFFFAOYSA-N
XLogP0.64
TPSA73.58 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.32
LogP ≤ 50.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(1-aminohexan-2-yl)-2,3-dihydro-1-benzofuran-3-carboxamide
CID 80697516
N-(4-chlorobutan-2-yl)-2,3-dihydro-1-benzofuran-3-carboxamide
CID 83179536
methyl (3S)-2,3-dihydro-1-benzofuran-3-carboxylate
CID 95340884
methyl 2-bromo-3-(2,3-dihydro-1-benzofuran-3-carbonylamino)propanoate
CID 103492669
N-(4-chloro-1-methoxybutan-2-yl)-3,4-dihydro-2H-chromene-3-carboxamide
CID 106155714
N-(4-amino-4-hydroxyiminobutan-2-yl)-2,3-dihydro-1-benzofuran-3-carboxamide
CID 77020855
(3S)-N-[(2R)-1-cyanopropan-2-yl]-2,3-dihydro-1-benzofuran-3-carboxamide
CID 95359121
N-pent-1-yn-3-yl-2,3-dihydro-1-benzofuran-3-carboxamide
CID 103579233
(2R)-2-[[(4R)-3,4-dihydro-2H-chromene-4-carbonyl]amino]-4-methoxybutanoic acid
CID 124556456
N-(1-amino-2-cyclopropylpropan-2-yl)-2,3-dihydro-1-benzofuran-3-carboxamide
CID 81486749
N-(1-amino-3-methylpentan-3-yl)-2,3-dihydro-1-benzofuran-3-carboxamide
CID 106164175
N-(4-hydroxy-1-methoxybutan-2-yl)-1,2,3,4-tetrahydronaphthalene-1-carboxamide
CID 103799339

Frequently Asked Questions

What is the IUPAC name of N-(4-amino-1-methoxybutan-2-yl)-2,3-dihydro-1-benzofuran-3-carboxamide?
The IUPAC name of N-(4-amino-1-methoxybutan-2-yl)-2,3-dihydro-1-benzofuran-3-carboxamide (CID 106152017) is N-(4-amino-1-methoxybutan-2-yl)-2,3-dihydro-1-benzofuran-3-carboxamide.
What is the SMILES notation for N-(4-amino-1-methoxybutan-2-yl)-2,3-dihydro-1-benzofuran-3-carboxamide?
The canonical SMILES for N-(4-amino-1-methoxybutan-2-yl)-2,3-dihydro-1-benzofuran-3-carboxamide is COCC(CCN)NC(=O)C1COc2ccccc21.
What is the InChIKey of N-(4-amino-1-methoxybutan-2-yl)-2,3-dihydro-1-benzofuran-3-carboxamide?
The InChIKey is SYHOCKCIYOBOGE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2O3/c1-18-8-10(6-7-15)16-14(17)12-9-19-13-5-3-2-4-11(12)13/h2-5,10,12H,6-9,15H2,1H3,(H,16,17).
What are the key properties of N-(4-amino-1-methoxybutan-2-yl)-2,3-dihydro-1-benzofuran-3-carboxamide?
N-(4-amino-1-methoxybutan-2-yl)-2,3-dihydro-1-benzofuran-3-carboxamide has a molecular weight of 264.32 g/mol, XLogP of 0.64, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-amino-1-methoxybutan-2-yl)-2,3-dihydro-1-benzofuran-3-carboxamide is sourced from PubChem (CID 106152017), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).