2-amino-N-(8-methoxy-2,3,4,5-tetrahydro-1-benzoxepin-5-yl)-2-methylpropanamide

C15H22N2O3 — CID 110480046

IUPAC2-amino-N-(8-methoxy-2,3,4,5-tetrahydro-1-benzoxepin-5-yl)-2-methylpropanamide
SMILESCOc1ccc2c(c1)OCCCC2NC(=O)C(C)(C)N
InChIInChI=1S/C15H22N2O3/c1-15(2,16)14(18)17-12-5-4-8-20-13-9-10(19-3)6-7-11(12)13/h6-7,9,12H,4-5,8,16H2,1-3H3,(H,17,18)
InChIKeyZVJHFFSWSHGFJY-UHFFFAOYSA-N
MW278.35 g/mol
LogP1.76
Rot. Bonds3

About 2-amino-N-(8-methoxy-2,3,4,5-tetrahydro-1-benzoxepin-5-yl)-2-methylpropanamide

2-amino-N-(8-methoxy-2,3,4,5-tetrahydro-1-benzoxepin-5-yl)-2-methylpropanamide (PubChem CID 110480046) has the molecular formula C15H22N2O3 and a molecular weight of 278.35 g/mol. Its IUPAC name is 2-amino-N-(8-methoxy-2,3,4,5-tetrahydro-1-benzoxepin-5-yl)-2-methylpropanamide.

Molecular Properties

Compound Name2-amino-N-(8-methoxy-2,3,4,5-tetrahydro-1-benzoxepin-5-yl)-2-methylpropanamide
PubChem CID110480046
Molecular FormulaC15H22N2O3
Molecular Weight278.35 g/mol
Exact Mass278.16
IUPAC Name2-amino-N-(8-methoxy-2,3,4,5-tetrahydro-1-benzoxepin-5-yl)-2-methylpropanamide
SMILESCOc1ccc2c(c1)OCCCC2NC(=O)C(C)(C)N
InChIInChI=1S/C15H22N2O3/c1-15(2,16)14(18)17-12-5-4-8-20-13-9-10(19-3)6-7-11(12)13/h6-7,9,12H,4-5,8,16H2,1-3H3,(H,17,18)
InChIKeyZVJHFFSWSHGFJY-UHFFFAOYSA-N
XLogP1.76
TPSA73.58 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.35
LogP ≤ 51.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-amino-N-(8-methoxy-2,3,4,5-tetrahydro-1-benzoxepin-5-yl)-2-methylpropanamide?
The IUPAC name of 2-amino-N-(8-methoxy-2,3,4,5-tetrahydro-1-benzoxepin-5-yl)-2-methylpropanamide (CID 110480046) is 2-amino-N-(8-methoxy-2,3,4,5-tetrahydro-1-benzoxepin-5-yl)-2-methylpropanamide.
What is the SMILES notation for 2-amino-N-(8-methoxy-2,3,4,5-tetrahydro-1-benzoxepin-5-yl)-2-methylpropanamide?
The canonical SMILES for 2-amino-N-(8-methoxy-2,3,4,5-tetrahydro-1-benzoxepin-5-yl)-2-methylpropanamide is COc1ccc2c(c1)OCCCC2NC(=O)C(C)(C)N.
What is the InChIKey of 2-amino-N-(8-methoxy-2,3,4,5-tetrahydro-1-benzoxepin-5-yl)-2-methylpropanamide?
The InChIKey is ZVJHFFSWSHGFJY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2O3/c1-15(2,16)14(18)17-12-5-4-8-20-13-9-10(19-3)6-7-11(12)13/h6-7,9,12H,4-5,8,16H2,1-3H3,(H,17,18).
What are the key properties of 2-amino-N-(8-methoxy-2,3,4,5-tetrahydro-1-benzoxepin-5-yl)-2-methylpropanamide?
2-amino-N-(8-methoxy-2,3,4,5-tetrahydro-1-benzoxepin-5-yl)-2-methylpropanamide has a molecular weight of 278.35 g/mol, XLogP of 1.76, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-(8-methoxy-2,3,4,5-tetrahydro-1-benzoxepin-5-yl)-2-methylpropanamide is sourced from PubChem (CID 110480046), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).