(2S)-2-amino-N-[(2-ethyl-1-benzofuran-3-yl)methyl]-N,4-dimethylpentanamide

C18H26N2O2 — CID 119694692

IUPAC(2S)-2-amino-N-[(2-ethyl-1-benzofuran-3-yl)methyl]-N,4-dimethylpentanamide
SMILESCCc1oc2ccccc2c1CN(C)C(=O)[C@@H](N)CC(C)C
InChIInChI=1S/C18H26N2O2/c1-5-16-14(13-8-6-7-9-17(13)22-16)11-20(4)18(21)15(19)10-12(2)3/h6-9,12,15H,5,10-11,19H2,1-4H3/t15-/m0/s1
InChIKeyJICDNUIJFXRFME-HNNXBMFYSA-N
MW302.42 g/mol
LogP3.33
Rot. Bonds6

About (2S)-2-amino-N-[(2-ethyl-1-benzofuran-3-yl)methyl]-N,4-dimethylpentanamide

(2S)-2-amino-N-[(2-ethyl-1-benzofuran-3-yl)methyl]-N,4-dimethylpentanamide (PubChem CID 119694692) has the molecular formula C18H26N2O2 and a molecular weight of 302.42 g/mol. Its IUPAC name is (2S)-2-amino-N-[(2-ethyl-1-benzofuran-3-yl)methyl]-N,4-dimethylpentanamide.

Molecular Properties

Compound Name(2S)-2-amino-N-[(2-ethyl-1-benzofuran-3-yl)methyl]-N,4-dimethylpentanamide
PubChem CID119694692
Molecular FormulaC18H26N2O2
Molecular Weight302.42 g/mol
Exact Mass302.20
IUPAC Name(2S)-2-amino-N-[(2-ethyl-1-benzofuran-3-yl)methyl]-N,4-dimethylpentanamide
SMILESCCc1oc2ccccc2c1CN(C)C(=O)[C@@H](N)CC(C)C
InChIInChI=1S/C18H26N2O2/c1-5-16-14(13-8-6-7-9-17(13)22-16)11-20(4)18(21)15(19)10-12(2)3/h6-9,12,15H,5,10-11,19H2,1-4H3/t15-/m0/s1
InChIKeyJICDNUIJFXRFME-HNNXBMFYSA-N
XLogP3.33
TPSA59.47 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.42
LogP ≤ 53.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (2S)-2-amino-N-[(2-ethyl-1-benzofuran-3-yl)methyl]-N,4-dimethylpentanamide?
The IUPAC name of (2S)-2-amino-N-[(2-ethyl-1-benzofuran-3-yl)methyl]-N,4-dimethylpentanamide (CID 119694692) is (2S)-2-amino-N-[(2-ethyl-1-benzofuran-3-yl)methyl]-N,4-dimethylpentanamide.
What is the SMILES notation for (2S)-2-amino-N-[(2-ethyl-1-benzofuran-3-yl)methyl]-N,4-dimethylpentanamide?
The canonical SMILES for (2S)-2-amino-N-[(2-ethyl-1-benzofuran-3-yl)methyl]-N,4-dimethylpentanamide is CCc1oc2ccccc2c1CN(C)C(=O)[C@@H](N)CC(C)C.
What is the InChIKey of (2S)-2-amino-N-[(2-ethyl-1-benzofuran-3-yl)methyl]-N,4-dimethylpentanamide?
The InChIKey is JICDNUIJFXRFME-HNNXBMFYSA-N. The full InChI is InChI=1S/C18H26N2O2/c1-5-16-14(13-8-6-7-9-17(13)22-16)11-20(4)18(21)15(19)10-12(2)3/h6-9,12,15H,5,10-11,19H2,1-4H3/t15-/m0/s1.
What are the key properties of (2S)-2-amino-N-[(2-ethyl-1-benzofuran-3-yl)methyl]-N,4-dimethylpentanamide?
(2S)-2-amino-N-[(2-ethyl-1-benzofuran-3-yl)methyl]-N,4-dimethylpentanamide has a molecular weight of 302.42 g/mol, XLogP of 3.33, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-amino-N-[(2-ethyl-1-benzofuran-3-yl)methyl]-N,4-dimethylpentanamide is sourced from PubChem (CID 119694692), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).