N-hydroxy-4-[(16E)-19-oxa-5,7,14,27-tetrazatetracyclo[19.3.1.12,6.18,12]heptacosa-1(24),2(27),3,5,8,10,12(26),16,21(25),22-decaen-14-yl]butanamide

C26H29N5O3 — CID 71510729

IUPACN-hydroxy-4-[(16E)-19-oxa-5,7,14,27-tetrazatetracyclo[19.3.1.12,6.18,12]heptacosa-1(24),2(27),3,5,8,10,12(26),16,21(25),22-decaen-14-yl]butanamide
SMILESO=C(CCCN1C/C=C\COCc2cccc(c2)-c2ccnc(n2)Nc2cccc(c2)C1)NO
InChIInChI=1S/C26H29N5O3/c32-25(30-33)10-5-14-31-13-1-2-15-34-19-21-7-3-8-22(16-21)24-11-12-27-26(29-24)28-23-9-4-6-20(17-23)18-31/h1-4,6-9,11-12,16-17,33H,5,10,13-15,18-19H2,(H,30,32)(H,27,28,29)/b2-1-
InChIKeyCEGORDXZINXODV-UPHRSURJSA-N
MW459.55 g/mol
LogP4.06
Rot. Bonds4

About N-hydroxy-4-[(16E)-19-oxa-5,7,14,27-tetrazatetracyclo[19.3.1.12,6.18,12]heptacosa-1(24),2(27),3,5,8,10,12(26),16,21(25),22-decaen-14-yl]butanamide

N-hydroxy-4-[(16E)-19-oxa-5,7,14,27-tetrazatetracyclo[19.3.1.12,6.18,12]heptacosa-1(24),2(27),3,5,8,10,12(26),16,21(25),22-decaen-14-yl]butanamide (PubChem CID 71510729) has the molecular formula C26H29N5O3 and a molecular weight of 459.55 g/mol. Its IUPAC name is N-hydroxy-4-[(16E)-19-oxa-5,7,14,27-tetrazatetracyclo[19.3.1.12,6.18,12]heptacosa-1(24),2(27),3,5,8,10,12(26),16,21(25),22-decaen-14-yl]butanamide.

Molecular Properties

Compound NameN-hydroxy-4-[(16E)-19-oxa-5,7,14,27-tetrazatetracyclo[19.3.1.12,6.18,12]heptacosa-1(24),2(27),3,5,8,10,12(26),16,21(25),22-decaen-14-yl]butanamide
PubChem CID71510729
Molecular FormulaC26H29N5O3
Molecular Weight459.55 g/mol
Exact Mass459.23
IUPAC NameN-hydroxy-4-[(16E)-19-oxa-5,7,14,27-tetrazatetracyclo[19.3.1.12,6.18,12]heptacosa-1(24),2(27),3,5,8,10,12(26),16,21(25),22-decaen-14-yl]butanamide
SMILESO=C(CCCN1C/C=C\COCc2cccc(c2)-c2ccnc(n2)Nc2cccc(c2)C1)NO
InChIInChI=1S/C26H29N5O3/c32-25(30-33)10-5-14-31-13-1-2-15-34-19-21-7-3-8-22(16-21)24-11-12-27-26(29-24)28-23-9-4-6-20(17-23)18-31/h1-4,6-9,11-12,16-17,33H,5,10,13-15,18-19H2,(H,30,32)(H,27,28,29)/b2-1-
InChIKeyCEGORDXZINXODV-UPHRSURJSA-N
XLogP4.06
TPSA99.61 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500459.55
LogP ≤ 54.06
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

Analyze N-hydroxy-4-[(16E)-19-oxa-5,7,14,27-tetrazatetracyclo[19.3.1.12,6.18,12]heptacosa-1(24),2(27),3,5,8,10,12(26),16,21(25),22-decaen-14-yl]butanamide 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 N-hydroxy-4-[(16E)-19-oxa-5,7,14,27-tetrazatetracyclo[19.3.1.12,6.18,12]heptacosa-1(24),2(27),3,5,8,10,12(26),16,21(25),22-decaen-14-yl]butanamide?
The IUPAC name of N-hydroxy-4-[(16E)-19-oxa-5,7,14,27-tetrazatetracyclo[19.3.1.12,6.18,12]heptacosa-1(24),2(27),3,5,8,10,12(26),16,21(25),22-decaen-14-yl]butanamide (CID 71510729) is N-hydroxy-4-[(16E)-19-oxa-5,7,14,27-tetrazatetracyclo[19.3.1.12,6.18,12]heptacosa-1(24),2(27),3,5,8,10,12(26),16,21(25),22-decaen-14-yl]butanamide.
What is the SMILES notation for N-hydroxy-4-[(16E)-19-oxa-5,7,14,27-tetrazatetracyclo[19.3.1.12,6.18,12]heptacosa-1(24),2(27),3,5,8,10,12(26),16,21(25),22-decaen-14-yl]butanamide?
The canonical SMILES for N-hydroxy-4-[(16E)-19-oxa-5,7,14,27-tetrazatetracyclo[19.3.1.12,6.18,12]heptacosa-1(24),2(27),3,5,8,10,12(26),16,21(25),22-decaen-14-yl]butanamide is O=C(CCCN1C/C=C\COCc2cccc(c2)-c2ccnc(n2)Nc2cccc(c2)C1)NO.
What is the InChIKey of N-hydroxy-4-[(16E)-19-oxa-5,7,14,27-tetrazatetracyclo[19.3.1.12,6.18,12]heptacosa-1(24),2(27),3,5,8,10,12(26),16,21(25),22-decaen-14-yl]butanamide?
The InChIKey is CEGORDXZINXODV-UPHRSURJSA-N. The full InChI is InChI=1S/C26H29N5O3/c32-25(30-33)10-5-14-31-13-1-2-15-34-19-21-7-3-8-22(16-21)24-11-12-27-26(29-24)28-23-9-4-6-20(17-23)18-31/h1-4,6-9,11-12,16-17,33H,5,10,13-15,18-19H2,(H,30,32)(H,27,28,29)/b2-1-.
What are the key properties of N-hydroxy-4-[(16E)-19-oxa-5,7,14,27-tetrazatetracyclo[19.3.1.12,6.18,12]heptacosa-1(24),2(27),3,5,8,10,12(26),16,21(25),22-decaen-14-yl]butanamide?
N-hydroxy-4-[(16E)-19-oxa-5,7,14,27-tetrazatetracyclo[19.3.1.12,6.18,12]heptacosa-1(24),2(27),3,5,8,10,12(26),16,21(25),22-decaen-14-yl]butanamide has a molecular weight of 459.55 g/mol, XLogP of 4.06, 4 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-hydroxy-4-[(16E)-19-oxa-5,7,14,27-tetrazatetracyclo[19.3.1.12,6.18,12]heptacosa-1(24),2(27),3,5,8,10,12(26),16,21(25),22-decaen-14-yl]butanamide is sourced from PubChem (CID 71510729), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).