(2R)-N-hydroxy-4-(1-methylcyclobutanecarbonyl)-2-propan-2-yl-3,5-dihydro-2H-1,4-benzoxazepine-8-carboxamide

C19H26N2O4 — CID 122440505

IUPAC(2R)-N-hydroxy-4-(1-methylcyclobutanecarbonyl)-2-propan-2-yl-3,5-dihydro-2H-1,4-benzoxazepine-8-carboxamide
SMILESCC(C)[C@@H]1CN(C(=O)C2(C)CCC2)Cc2ccc(C(=O)NO)cc2O1
InChIInChI=1S/C19H26N2O4/c1-12(2)16-11-21(18(23)19(3)7-4-8-19)10-14-6-5-13(17(22)20-24)9-15(14)25-16/h5-6,9,12,16,24H,4,7-8,10-11H2,1-3H3,(H,20,22)/t16-/m0/s1
InChIKeyDLYLYEZZBRSSJT-INIZCTEOSA-N
MW346.43 g/mol
LogP2.74
Rot. Bonds3

About (2R)-N-hydroxy-4-(1-methylcyclobutanecarbonyl)-2-propan-2-yl-3,5-dihydro-2H-1,4-benzoxazepine-8-carboxamide

(2R)-N-hydroxy-4-(1-methylcyclobutanecarbonyl)-2-propan-2-yl-3,5-dihydro-2H-1,4-benzoxazepine-8-carboxamide (PubChem CID 122440505) has the molecular formula C19H26N2O4 and a molecular weight of 346.43 g/mol. Its IUPAC name is (2R)-N-hydroxy-4-(1-methylcyclobutanecarbonyl)-2-propan-2-yl-3,5-dihydro-2H-1,4-benzoxazepine-8-carboxamide.

Molecular Properties

Compound Name(2R)-N-hydroxy-4-(1-methylcyclobutanecarbonyl)-2-propan-2-yl-3,5-dihydro-2H-1,4-benzoxazepine-8-carboxamide
PubChem CID122440505
Molecular FormulaC19H26N2O4
Molecular Weight346.43 g/mol
Exact Mass346.19
IUPAC Name(2R)-N-hydroxy-4-(1-methylcyclobutanecarbonyl)-2-propan-2-yl-3,5-dihydro-2H-1,4-benzoxazepine-8-carboxamide
SMILESCC(C)[C@@H]1CN(C(=O)C2(C)CCC2)Cc2ccc(C(=O)NO)cc2O1
InChIInChI=1S/C19H26N2O4/c1-12(2)16-11-21(18(23)19(3)7-4-8-19)10-14-6-5-13(17(22)20-24)9-15(14)25-16/h5-6,9,12,16,24H,4,7-8,10-11H2,1-3H3,(H,20,22)/t16-/m0/s1
InChIKeyDLYLYEZZBRSSJT-INIZCTEOSA-N
XLogP2.74
TPSA78.87 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.43
LogP ≤ 52.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydroxamic_acid', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (2R)-N-hydroxy-4-(1-methylcyclobutanecarbonyl)-2-propan-2-yl-3,5-dihydro-2H-1,4-benzoxazepine-8-carboxamide?
The IUPAC name of (2R)-N-hydroxy-4-(1-methylcyclobutanecarbonyl)-2-propan-2-yl-3,5-dihydro-2H-1,4-benzoxazepine-8-carboxamide (CID 122440505) is (2R)-N-hydroxy-4-(1-methylcyclobutanecarbonyl)-2-propan-2-yl-3,5-dihydro-2H-1,4-benzoxazepine-8-carboxamide.
What is the SMILES notation for (2R)-N-hydroxy-4-(1-methylcyclobutanecarbonyl)-2-propan-2-yl-3,5-dihydro-2H-1,4-benzoxazepine-8-carboxamide?
The canonical SMILES for (2R)-N-hydroxy-4-(1-methylcyclobutanecarbonyl)-2-propan-2-yl-3,5-dihydro-2H-1,4-benzoxazepine-8-carboxamide is CC(C)[C@@H]1CN(C(=O)C2(C)CCC2)Cc2ccc(C(=O)NO)cc2O1.
What is the InChIKey of (2R)-N-hydroxy-4-(1-methylcyclobutanecarbonyl)-2-propan-2-yl-3,5-dihydro-2H-1,4-benzoxazepine-8-carboxamide?
The InChIKey is DLYLYEZZBRSSJT-INIZCTEOSA-N. The full InChI is InChI=1S/C19H26N2O4/c1-12(2)16-11-21(18(23)19(3)7-4-8-19)10-14-6-5-13(17(22)20-24)9-15(14)25-16/h5-6,9,12,16,24H,4,7-8,10-11H2,1-3H3,(H,20,22)/t16-/m0/s1.
What are the key properties of (2R)-N-hydroxy-4-(1-methylcyclobutanecarbonyl)-2-propan-2-yl-3,5-dihydro-2H-1,4-benzoxazepine-8-carboxamide?
(2R)-N-hydroxy-4-(1-methylcyclobutanecarbonyl)-2-propan-2-yl-3,5-dihydro-2H-1,4-benzoxazepine-8-carboxamide has a molecular weight of 346.43 g/mol, XLogP of 2.74, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-N-hydroxy-4-(1-methylcyclobutanecarbonyl)-2-propan-2-yl-3,5-dihydro-2H-1,4-benzoxazepine-8-carboxamide is sourced from PubChem (CID 122440505), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).