4-amino-N-hydroxy-5-(19-methoxy-11-oxo-3,13-dioxa-10-azatricyclo[15.3.1.04,9]henicosa-1(20),4,6,8,17(21),18-hexaen-12-yl)-2,2,3,3-tetramethylpentanamide;ethane

C30H45N3O6 — CID 145473830

IUPAC4-amino-N-hydroxy-5-(19-methoxy-11-oxo-3,13-dioxa-10-azatricyclo[15.3.1.04,9]henicosa-1(20),4,6,8,17(21),18-hexaen-12-yl)-2,2,3,3-tetramethylpentanamide;ethane
SMILESCC.COc1cc2cc(c1)COc1ccccc1NC(=O)C(CC(N)C(C)(C)C(C)(C)C(=O)NO)OCCC2
InChIInChI=1S/C28H39N3O6.C2H6/c1-27(2,28(3,4)26(33)31-34)24(29)16-23-25(32)30-21-10-6-7-11-22(21)37-17-19-13-18(9-8-12-36-23)14-20(15-19)35-5;1-2/h6-7,10-11,13-15,23-24,34H,8-9,12,16-17,29H2,1-5H3,(H,30,32)(H,31,33);1-2H3
InChIKeyLVLHZZAQCPVEPP-UHFFFAOYSA-N
MW543.71 g/mol
LogP4.85
Rot. Bonds6

About 4-amino-N-hydroxy-5-(19-methoxy-11-oxo-3,13-dioxa-10-azatricyclo[15.3.1.04,9]henicosa-1(20),4,6,8,17(21),18-hexaen-12-yl)-2,2,3,3-tetramethylpentanamide;ethane

4-amino-N-hydroxy-5-(19-methoxy-11-oxo-3,13-dioxa-10-azatricyclo[15.3.1.04,9]henicosa-1(20),4,6,8,17(21),18-hexaen-12-yl)-2,2,3,3-tetramethylpentanamide;ethane (PubChem CID 145473830) has the molecular formula C30H45N3O6 and a molecular weight of 543.71 g/mol. Its IUPAC name is 4-amino-N-hydroxy-5-(19-methoxy-11-oxo-3,13-dioxa-10-azatricyclo[15.3.1.04,9]henicosa-1(20),4,6,8,17(21),18-hexaen-12-yl)-2,2,3,3-tetramethylpentanamide;ethane.

Molecular Properties

Compound Name4-amino-N-hydroxy-5-(19-methoxy-11-oxo-3,13-dioxa-10-azatricyclo[15.3.1.04,9]henicosa-1(20),4,6,8,17(21),18-hexaen-12-yl)-2,2,3,3-tetramethylpentanamide;ethane
PubChem CID145473830
Molecular FormulaC30H45N3O6
Molecular Weight543.71 g/mol
Exact Mass543.33
IUPAC Name4-amino-N-hydroxy-5-(19-methoxy-11-oxo-3,13-dioxa-10-azatricyclo[15.3.1.04,9]henicosa-1(20),4,6,8,17(21),18-hexaen-12-yl)-2,2,3,3-tetramethylpentanamide;ethane
SMILESCC.COc1cc2cc(c1)COc1ccccc1NC(=O)C(CC(N)C(C)(C)C(C)(C)C(=O)NO)OCCC2
InChIInChI=1S/C28H39N3O6.C2H6/c1-27(2,28(3,4)26(33)31-34)24(29)16-23-25(32)30-21-10-6-7-11-22(21)37-17-19-13-18(9-8-12-36-23)14-20(15-19)35-5;1-2/h6-7,10-11,13-15,23-24,34H,8-9,12,16-17,29H2,1-5H3,(H,30,32)(H,31,33);1-2H3
InChIKeyLVLHZZAQCPVEPP-UHFFFAOYSA-N
XLogP4.85
TPSA132.14 Ų
H-Bond Donors4
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms39
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500543.71
LogP ≤ 54.85
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

Analyze 4-amino-N-hydroxy-5-(19-methoxy-11-oxo-3,13-dioxa-10-azatricyclo[15.3.1.04,9]henicosa-1(20),4,6,8,17(21),18-hexaen-12-yl)-2,2,3,3-tetramethylpentanamide;ethane with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 4-amino-N-hydroxy-5-(19-methoxy-11-oxo-3,13-dioxa-10-azatricyclo[15.3.1.04,9]henicosa-1(20),4,6,8,17(21),18-hexaen-12-yl)-2,2,3,3-tetramethylpentanamide;ethane?
The IUPAC name of 4-amino-N-hydroxy-5-(19-methoxy-11-oxo-3,13-dioxa-10-azatricyclo[15.3.1.04,9]henicosa-1(20),4,6,8,17(21),18-hexaen-12-yl)-2,2,3,3-tetramethylpentanamide;ethane (CID 145473830) is 4-amino-N-hydroxy-5-(19-methoxy-11-oxo-3,13-dioxa-10-azatricyclo[15.3.1.04,9]henicosa-1(20),4,6,8,17(21),18-hexaen-12-yl)-2,2,3,3-tetramethylpentanamide;ethane.
What is the SMILES notation for 4-amino-N-hydroxy-5-(19-methoxy-11-oxo-3,13-dioxa-10-azatricyclo[15.3.1.04,9]henicosa-1(20),4,6,8,17(21),18-hexaen-12-yl)-2,2,3,3-tetramethylpentanamide;ethane?
The canonical SMILES for 4-amino-N-hydroxy-5-(19-methoxy-11-oxo-3,13-dioxa-10-azatricyclo[15.3.1.04,9]henicosa-1(20),4,6,8,17(21),18-hexaen-12-yl)-2,2,3,3-tetramethylpentanamide;ethane is CC.COc1cc2cc(c1)COc1ccccc1NC(=O)C(CC(N)C(C)(C)C(C)(C)C(=O)NO)OCCC2.
What is the InChIKey of 4-amino-N-hydroxy-5-(19-methoxy-11-oxo-3,13-dioxa-10-azatricyclo[15.3.1.04,9]henicosa-1(20),4,6,8,17(21),18-hexaen-12-yl)-2,2,3,3-tetramethylpentanamide;ethane?
The InChIKey is LVLHZZAQCPVEPP-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H39N3O6.C2H6/c1-27(2,28(3,4)26(33)31-34)24(29)16-23-25(32)30-21-10-6-7-11-22(21)37-17-19-13-18(9-8-12-36-23)14-20(15-19)35-5;1-2/h6-7,10-11,13-15,23-24,34H,8-9,12,16-17,29H2,1-5H3,(H,30,32)(H,31,33);1-2H3.
What are the key properties of 4-amino-N-hydroxy-5-(19-methoxy-11-oxo-3,13-dioxa-10-azatricyclo[15.3.1.04,9]henicosa-1(20),4,6,8,17(21),18-hexaen-12-yl)-2,2,3,3-tetramethylpentanamide;ethane?
4-amino-N-hydroxy-5-(19-methoxy-11-oxo-3,13-dioxa-10-azatricyclo[15.3.1.04,9]henicosa-1(20),4,6,8,17(21),18-hexaen-12-yl)-2,2,3,3-tetramethylpentanamide;ethane has a molecular weight of 543.71 g/mol, XLogP of 4.85, 6 rotatable bonds, 4 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-N-hydroxy-5-(19-methoxy-11-oxo-3,13-dioxa-10-azatricyclo[15.3.1.04,9]henicosa-1(20),4,6,8,17(21),18-hexaen-12-yl)-2,2,3,3-tetramethylpentanamide;ethane is sourced from PubChem (CID 145473830), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).