2-[[2-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxy]acetyl]amino]-3-methylpentanamide

C18H26N2O4 — CID 78773150

IUPAC2-[[2-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxy]acetyl]amino]-3-methylpentanamide
SMILESCCC(C)C(NC(=O)COc1cccc2c1OC(C)(C)C2)C(N)=O
InChIInChI=1S/C18H26N2O4/c1-5-11(2)15(17(19)22)20-14(21)10-23-13-8-6-7-12-9-18(3,4)24-16(12)13/h6-8,11,15H,5,9-10H2,1-4H3,(H2,19,22)(H,20,21)
InChIKeyPLXUNIKKFXVDHW-UHFFFAOYSA-N
MW334.42 g/mol
LogP1.80
Rot. Bonds7

About 2-[[2-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxy]acetyl]amino]-3-methylpentanamide

2-[[2-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxy]acetyl]amino]-3-methylpentanamide (PubChem CID 78773150) has the molecular formula C18H26N2O4 and a molecular weight of 334.42 g/mol. Its IUPAC name is 2-[[2-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxy]acetyl]amino]-3-methylpentanamide.

Molecular Properties

Compound Name2-[[2-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxy]acetyl]amino]-3-methylpentanamide
PubChem CID78773150
Molecular FormulaC18H26N2O4
Molecular Weight334.42 g/mol
Exact Mass334.19
IUPAC Name2-[[2-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxy]acetyl]amino]-3-methylpentanamide
SMILESCCC(C)C(NC(=O)COc1cccc2c1OC(C)(C)C2)C(N)=O
InChIInChI=1S/C18H26N2O4/c1-5-11(2)15(17(19)22)20-14(21)10-23-13-8-6-7-12-9-18(3,4)24-16(12)13/h6-8,11,15H,5,9-10H2,1-4H3,(H2,19,22)(H,20,21)
InChIKeyPLXUNIKKFXVDHW-UHFFFAOYSA-N
XLogP1.80
TPSA90.65 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.42
LogP ≤ 51.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxy]-N-(4-methylphenyl)acetamide
CID 7899894
2-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxy]butanamide
CID 62901438
2-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxy]-N,N-di(propan-2-yl)acetamide
CID 8551057
2-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxy]-N,N-bis(2-methylpropyl)acetamide
CID 8551074
2-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxy]-N-(4-ethylphenyl)acetamide
CID 26697232
2-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxy]-N-(5-propan-2-yl-2-pyridinyl)acetamide
CID 147150621
N-(2-cyano-3-methylbutan-2-yl)-2-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxy]acetamide
CID 84857380
2-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxy]-N-[5-(2-methylpropyl)-1,3,4-thiadiazol-2-yl]acetamide
CID 16548053
N-[cyclopropyl-(4-methoxyphenyl)methyl]-2-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxy]acetamide
CID 55461094
N-[(2,6-difluorophenyl)methyl]-2-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxy]acetamide
CID 8551831
N-(4-bromophenyl)-2-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxy]acetamide
CID 7946386
2-[[2-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxy]acetyl]amino]ethyl-dimethylazanium
CID 7858818

Frequently Asked Questions

What is the IUPAC name of 2-[[2-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxy]acetyl]amino]-3-methylpentanamide?
The IUPAC name of 2-[[2-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxy]acetyl]amino]-3-methylpentanamide (CID 78773150) is 2-[[2-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxy]acetyl]amino]-3-methylpentanamide.
What is the SMILES notation for 2-[[2-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxy]acetyl]amino]-3-methylpentanamide?
The canonical SMILES for 2-[[2-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxy]acetyl]amino]-3-methylpentanamide is CCC(C)C(NC(=O)COc1cccc2c1OC(C)(C)C2)C(N)=O.
What is the InChIKey of 2-[[2-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxy]acetyl]amino]-3-methylpentanamide?
The InChIKey is PLXUNIKKFXVDHW-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26N2O4/c1-5-11(2)15(17(19)22)20-14(21)10-23-13-8-6-7-12-9-18(3,4)24-16(12)13/h6-8,11,15H,5,9-10H2,1-4H3,(H2,19,22)(H,20,21).
What are the key properties of 2-[[2-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxy]acetyl]amino]-3-methylpentanamide?
2-[[2-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxy]acetyl]amino]-3-methylpentanamide has a molecular weight of 334.42 g/mol, XLogP of 1.80, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxy]acetyl]amino]-3-methylpentanamide is sourced from PubChem (CID 78773150), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).