(2S,3S)-2-amino-N-(2,3-dihydro-1-benzofuran-5-yl)-3-methylpentanamide

C14H20N2O2 — CID 61177905

IUPAC(2S,3S)-2-amino-N-(2,3-dihydro-1-benzofuran-5-yl)-3-methylpentanamide
SMILESCC[C@H](C)[C@H](N)C(=O)Nc1ccc2c(c1)CCO2
InChIInChI=1S/C14H20N2O2/c1-3-9(2)13(15)14(17)16-11-4-5-12-10(8-11)6-7-18-12/h4-5,8-9,13H,3,6-7,15H2,1-2H3,(H,16,17)/t9-,13-/m0/s1
InChIKeyFSQNXPHSFNIVSR-ZANVPECISA-N
MW248.33 g/mol
LogP1.93
Rot. Bonds4

About (2S,3S)-2-amino-N-(2,3-dihydro-1-benzofuran-5-yl)-3-methylpentanamide

(2S,3S)-2-amino-N-(2,3-dihydro-1-benzofuran-5-yl)-3-methylpentanamide (PubChem CID 61177905) has the molecular formula C14H20N2O2 and a molecular weight of 248.33 g/mol. Its IUPAC name is (2S,3S)-2-amino-N-(2,3-dihydro-1-benzofuran-5-yl)-3-methylpentanamide.

Molecular Properties

Compound Name(2S,3S)-2-amino-N-(2,3-dihydro-1-benzofuran-5-yl)-3-methylpentanamide
PubChem CID61177905
Molecular FormulaC14H20N2O2
Molecular Weight248.33 g/mol
Exact Mass248.15
IUPAC Name(2S,3S)-2-amino-N-(2,3-dihydro-1-benzofuran-5-yl)-3-methylpentanamide
SMILESCC[C@H](C)[C@H](N)C(=O)Nc1ccc2c(c1)CCO2
InChIInChI=1S/C14H20N2O2/c1-3-9(2)13(15)14(17)16-11-4-5-12-10(8-11)6-7-18-12/h4-5,8-9,13H,3,6-7,15H2,1-2H3,(H,16,17)/t9-,13-/m0/s1
InChIKeyFSQNXPHSFNIVSR-ZANVPECISA-N
XLogP1.93
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.33
LogP ≤ 51.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(2R)-2-amino-N-(2,3-dihydro-1-benzofuran-5-yl)-4-methylpentanamide
CID 110837781
N-(2,3-dihydro-1-benzofuran-5-yl)-3-(ethylamino)-2-methylpropanamide
CID 62851670
2-bromo-N-(2,3-dihydro-1-benzofuran-5-yl)propanamide
CID 107903969
4-(2,3-dihydro-1-benzofuran-5-ylamino)-3-methyl-4-oxobutanoic acid
CID 115164479
2-(2,3-dihydro-1-benzofuran-5-ylcarbamoyl)-3-methylbutanoic acid
CID 115186146
N-(3,4-dihydro-2H-chromen-6-yl)-2-hydroxypropanamide
CID 115140407
N-(2,3-dihydro-1-benzofuran-5-yl)-3-methylbutanamide
CID 110726242
(2S,3S)-2-amino-N-(3,4-dimethoxyphenyl)-3-methylpentanamide
CID 42313650
2-amino-N-(2,3-dihydro-1-benzofuran-5-yl)-2-(oxan-4-yl)acetamide;hydrochloride
CID 120787891
3-amino-N-(2,3-dihydro-1-benzofuran-5-yl)-2-phenylpropanamide
CID 62879061
N-(1-acetyl-2,3-dihydroindol-5-yl)-2-amino-3-methylpentanamide;hydrochloride
CID 119690438
4-[(2-amino-3-methylpentanoyl)amino]benzamide
CID 24711827

Frequently Asked Questions

What is the IUPAC name of (2S,3S)-2-amino-N-(2,3-dihydro-1-benzofuran-5-yl)-3-methylpentanamide?
The IUPAC name of (2S,3S)-2-amino-N-(2,3-dihydro-1-benzofuran-5-yl)-3-methylpentanamide (CID 61177905) is (2S,3S)-2-amino-N-(2,3-dihydro-1-benzofuran-5-yl)-3-methylpentanamide.
What is the SMILES notation for (2S,3S)-2-amino-N-(2,3-dihydro-1-benzofuran-5-yl)-3-methylpentanamide?
The canonical SMILES for (2S,3S)-2-amino-N-(2,3-dihydro-1-benzofuran-5-yl)-3-methylpentanamide is CC[C@H](C)[C@H](N)C(=O)Nc1ccc2c(c1)CCO2.
What is the InChIKey of (2S,3S)-2-amino-N-(2,3-dihydro-1-benzofuran-5-yl)-3-methylpentanamide?
The InChIKey is FSQNXPHSFNIVSR-ZANVPECISA-N. The full InChI is InChI=1S/C14H20N2O2/c1-3-9(2)13(15)14(17)16-11-4-5-12-10(8-11)6-7-18-12/h4-5,8-9,13H,3,6-7,15H2,1-2H3,(H,16,17)/t9-,13-/m0/s1.
What are the key properties of (2S,3S)-2-amino-N-(2,3-dihydro-1-benzofuran-5-yl)-3-methylpentanamide?
(2S,3S)-2-amino-N-(2,3-dihydro-1-benzofuran-5-yl)-3-methylpentanamide has a molecular weight of 248.33 g/mol, XLogP of 1.93, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,3S)-2-amino-N-(2,3-dihydro-1-benzofuran-5-yl)-3-methylpentanamide is sourced from PubChem (CID 61177905), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).