2-amino-3-methyl-N-(2,6,6-trimethyl-5,7-dihydro-4H-1-benzofuran-4-yl)pentanamide

C17H28N2O2 — CID 43713733

IUPAC2-amino-3-methyl-N-(2,6,6-trimethyl-5,7-dihydro-4H-1-benzofuran-4-yl)pentanamide
SMILESCCC(C)C(N)C(=O)NC1CC(C)(C)Cc2oc(C)cc21
InChIInChI=1S/C17H28N2O2/c1-6-10(2)15(18)16(20)19-13-8-17(4,5)9-14-12(13)7-11(3)21-14/h7,10,13,15H,6,8-9,18H2,1-5H3,(H,19,20)
InChIKeyRZRICEBHMBNZGH-UHFFFAOYSA-N
MW292.42 g/mol
LogP3.09
Rot. Bonds4

About 2-amino-3-methyl-N-(2,6,6-trimethyl-5,7-dihydro-4H-1-benzofuran-4-yl)pentanamide

2-amino-3-methyl-N-(2,6,6-trimethyl-5,7-dihydro-4H-1-benzofuran-4-yl)pentanamide (PubChem CID 43713733) has the molecular formula C17H28N2O2 and a molecular weight of 292.42 g/mol. Its IUPAC name is 2-amino-3-methyl-N-(2,6,6-trimethyl-5,7-dihydro-4H-1-benzofuran-4-yl)pentanamide.

Molecular Properties

Compound Name2-amino-3-methyl-N-(2,6,6-trimethyl-5,7-dihydro-4H-1-benzofuran-4-yl)pentanamide
PubChem CID43713733
Molecular FormulaC17H28N2O2
Molecular Weight292.42 g/mol
Exact Mass292.22
IUPAC Name2-amino-3-methyl-N-(2,6,6-trimethyl-5,7-dihydro-4H-1-benzofuran-4-yl)pentanamide
SMILESCCC(C)C(N)C(=O)NC1CC(C)(C)Cc2oc(C)cc21
InChIInChI=1S/C17H28N2O2/c1-6-10(2)15(18)16(20)19-13-8-17(4,5)9-14-12(13)7-11(3)21-14/h7,10,13,15H,6,8-9,18H2,1-5H3,(H,19,20)
InChIKeyRZRICEBHMBNZGH-UHFFFAOYSA-N
XLogP3.09
TPSA68.26 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.42
LogP ≤ 53.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 2-amino-3-methyl-N-(2,6,6-trimethyl-5,7-dihydro-4H-1-benzofuran-4-yl)pentanamide with MolForge

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Related Compounds

(2R)-2-methylsulfonyl-N-[(4S)-2,6,6-trimethyl-5,7-dihydro-4H-1-benzofuran-4-yl]propanamide
CID 94004654
3-methyl-2-(3-methylbutanoylamino)-N-(2,6,6-trimethyl-5,7-dihydro-4H-1-benzofuran-4-yl)butanamide
CID 55844841
1-amino-N-(2,6,6-trimethyl-5,7-dihydro-4H-1-benzofuran-4-yl)cyclobutane-1-carboxamide
CID 81179233
5-amino-4-methyl-N-(2,6,6-trimethyl-5,7-dihydro-4H-1-benzofuran-4-yl)pentanamide
CID 82013757
2,2,2-trifluoro-N-(2,6,6-trimethyl-5,7-dihydro-4H-1-benzofuran-4-yl)acetamide
CID 62491984
3-amino-3-methyl-N-(2,6,6-trimethyl-5,7-dihydro-4H-1-benzofuran-4-yl)butanamide
CID 64683856
3-ethylsulfanyl-N-(2,6,6-trimethyl-5,7-dihydro-4H-1-benzofuran-4-yl)propanamide
CID 47248732
5-chloro-N-(2,6,6-trimethyl-5,7-dihydro-4H-1-benzofuran-4-yl)pentanamide
CID 43701687
4-bromo-2,5-dimethyl-N-(2,6,6-trimethyl-5,7-dihydro-4H-1-benzofuran-4-yl)furan-3-carboxamide
CID 55782819
2-[2-oxo-2-[(2,6,6-trimethyl-5,7-dihydro-4H-1-benzofuran-4-yl)amino]ethyl]sulfanylacetic acid
CID 104569405
3,4,5-trimethoxy-N-(2,6,6-trimethyl-5,7-dihydro-4H-1-benzofuran-4-yl)benzamide
CID 55782557
(3R)-1-N-[(4S)-2,6,6-trimethyl-5,7-dihydro-4H-1-benzofuran-4-yl]pyrrolidine-1,3-dicarboxamide
CID 94118955

Frequently Asked Questions

What is the IUPAC name of 2-amino-3-methyl-N-(2,6,6-trimethyl-5,7-dihydro-4H-1-benzofuran-4-yl)pentanamide?
The IUPAC name of 2-amino-3-methyl-N-(2,6,6-trimethyl-5,7-dihydro-4H-1-benzofuran-4-yl)pentanamide (CID 43713733) is 2-amino-3-methyl-N-(2,6,6-trimethyl-5,7-dihydro-4H-1-benzofuran-4-yl)pentanamide.
What is the SMILES notation for 2-amino-3-methyl-N-(2,6,6-trimethyl-5,7-dihydro-4H-1-benzofuran-4-yl)pentanamide?
The canonical SMILES for 2-amino-3-methyl-N-(2,6,6-trimethyl-5,7-dihydro-4H-1-benzofuran-4-yl)pentanamide is CCC(C)C(N)C(=O)NC1CC(C)(C)Cc2oc(C)cc21.
What is the InChIKey of 2-amino-3-methyl-N-(2,6,6-trimethyl-5,7-dihydro-4H-1-benzofuran-4-yl)pentanamide?
The InChIKey is RZRICEBHMBNZGH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H28N2O2/c1-6-10(2)15(18)16(20)19-13-8-17(4,5)9-14-12(13)7-11(3)21-14/h7,10,13,15H,6,8-9,18H2,1-5H3,(H,19,20).
What are the key properties of 2-amino-3-methyl-N-(2,6,6-trimethyl-5,7-dihydro-4H-1-benzofuran-4-yl)pentanamide?
2-amino-3-methyl-N-(2,6,6-trimethyl-5,7-dihydro-4H-1-benzofuran-4-yl)pentanamide has a molecular weight of 292.42 g/mol, XLogP of 3.09, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-3-methyl-N-(2,6,6-trimethyl-5,7-dihydro-4H-1-benzofuran-4-yl)pentanamide is sourced from PubChem (CID 43713733), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).