5-amino-N-(2,3-dihydro-1-benzofuran-2-ylmethyl)-4-methylpentanamide

C15H22N2O2 — CID 82012136

IUPAC5-amino-N-(2,3-dihydro-1-benzofuran-2-ylmethyl)-4-methylpentanamide
SMILESCC(CN)CCC(=O)NCC1Cc2ccccc2O1
InChIInChI=1S/C15H22N2O2/c1-11(9-16)6-7-15(18)17-10-13-8-12-4-2-3-5-14(12)19-13/h2-5,11,13H,6-10,16H2,1H3,(H,17,18)
InChIKeyPKNCXKVKGOOQTC-UHFFFAOYSA-N
MW262.35 g/mol
LogP1.48
Rot. Bonds6

About 5-amino-N-(2,3-dihydro-1-benzofuran-2-ylmethyl)-4-methylpentanamide

5-amino-N-(2,3-dihydro-1-benzofuran-2-ylmethyl)-4-methylpentanamide (PubChem CID 82012136) has the molecular formula C15H22N2O2 and a molecular weight of 262.35 g/mol. Its IUPAC name is 5-amino-N-(2,3-dihydro-1-benzofuran-2-ylmethyl)-4-methylpentanamide.

Molecular Properties

Compound Name5-amino-N-(2,3-dihydro-1-benzofuran-2-ylmethyl)-4-methylpentanamide
PubChem CID82012136
Molecular FormulaC15H22N2O2
Molecular Weight262.35 g/mol
Exact Mass262.17
IUPAC Name5-amino-N-(2,3-dihydro-1-benzofuran-2-ylmethyl)-4-methylpentanamide
SMILESCC(CN)CCC(=O)NCC1Cc2ccccc2O1
InChIInChI=1S/C15H22N2O2/c1-11(9-16)6-7-15(18)17-10-13-8-12-4-2-3-5-14(12)19-13/h2-5,11,13H,6-10,16H2,1H3,(H,17,18)
InChIKeyPKNCXKVKGOOQTC-UHFFFAOYSA-N
XLogP1.48
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.35
LogP ≤ 51.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(2,3-dihydro-1-benzofuran-2-ylmethyl)-4-hydroxypentanamide
CID 79192348
5-amino-N-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)-4-methylpentanamide
CID 82012034
N-(2,3-dihydro-1-benzofuran-2-ylmethyl)-5-hydroxypentanamide
CID 79210222
3-(2,3-dihydro-1-benzofuran-2-ylmethylamino)-3-oxopropanoic acid
CID 62229922
(2R)-2-amino-N-(2,3-dihydro-1-benzofuran-2-ylmethyl)-3-methylbutanamide
CID 79012981
N-(2,3-dihydro-1-benzofuran-2-ylmethyl)-3,3-diphenylpropanamide
CID 55613114
3-(2,3-dihydro-1-benzofuran-2-yl)-2-methylpropan-1-amine
CID 66363440
2-amino-N-(2,3-dihydro-1-benzofuran-2-ylmethyl)pentanamide
CID 54896354
N-(2,3-dihydro-1-benzofuran-2-ylmethyl)prop-2-enamide
CID 61003696
(2S)-2-N-(2,3-dihydro-1-benzofuran-2-ylmethyl)propane-1,2-diamine
CID 104867584
2-(1-aminocyclopentyl)-N-(2,3-dihydro-1-benzofuran-2-ylmethyl)acetamide
CID 64676743
ethyl 2-(2,3-dihydro-1-benzofuran-2-ylmethylamino)-2-oxoacetate
CID 62234991

Frequently Asked Questions

What is the IUPAC name of 5-amino-N-(2,3-dihydro-1-benzofuran-2-ylmethyl)-4-methylpentanamide?
The IUPAC name of 5-amino-N-(2,3-dihydro-1-benzofuran-2-ylmethyl)-4-methylpentanamide (CID 82012136) is 5-amino-N-(2,3-dihydro-1-benzofuran-2-ylmethyl)-4-methylpentanamide.
What is the SMILES notation for 5-amino-N-(2,3-dihydro-1-benzofuran-2-ylmethyl)-4-methylpentanamide?
The canonical SMILES for 5-amino-N-(2,3-dihydro-1-benzofuran-2-ylmethyl)-4-methylpentanamide is CC(CN)CCC(=O)NCC1Cc2ccccc2O1.
What is the InChIKey of 5-amino-N-(2,3-dihydro-1-benzofuran-2-ylmethyl)-4-methylpentanamide?
The InChIKey is PKNCXKVKGOOQTC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2O2/c1-11(9-16)6-7-15(18)17-10-13-8-12-4-2-3-5-14(12)19-13/h2-5,11,13H,6-10,16H2,1H3,(H,17,18).
What are the key properties of 5-amino-N-(2,3-dihydro-1-benzofuran-2-ylmethyl)-4-methylpentanamide?
5-amino-N-(2,3-dihydro-1-benzofuran-2-ylmethyl)-4-methylpentanamide has a molecular weight of 262.35 g/mol, XLogP of 1.48, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-N-(2,3-dihydro-1-benzofuran-2-ylmethyl)-4-methylpentanamide is sourced from PubChem (CID 82012136), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).