N-hydroxy-7-(4-morpholin-4-ylanilino)heptanamide

C17H27N3O3 — CID 86016282

IUPACN-hydroxy-7-(4-morpholin-4-ylanilino)heptanamide
SMILESO=C(CCCCCCNc1ccc(N2CCOCC2)cc1)NO
InChIInChI=1S/C17H27N3O3/c21-17(19-22)5-3-1-2-4-10-18-15-6-8-16(9-7-15)20-11-13-23-14-12-20/h6-9,18,22H,1-5,10-14H2,(H,19,21)
InChIKeyZJEUVQOWSQWQPN-UHFFFAOYSA-N
MW321.42 g/mol
LogP2.39
Rot. Bonds9

About N-hydroxy-7-(4-morpholin-4-ylanilino)heptanamide

N-hydroxy-7-(4-morpholin-4-ylanilino)heptanamide (PubChem CID 86016282) has the molecular formula C17H27N3O3 and a molecular weight of 321.42 g/mol. Its IUPAC name is N-hydroxy-7-(4-morpholin-4-ylanilino)heptanamide.

Molecular Properties

Compound NameN-hydroxy-7-(4-morpholin-4-ylanilino)heptanamide
PubChem CID86016282
Molecular FormulaC17H27N3O3
Molecular Weight321.42 g/mol
Exact Mass321.21
IUPAC NameN-hydroxy-7-(4-morpholin-4-ylanilino)heptanamide
SMILESO=C(CCCCCCNc1ccc(N2CCOCC2)cc1)NO
InChIInChI=1S/C17H27N3O3/c21-17(19-22)5-3-1-2-4-10-18-15-6-8-16(9-7-15)20-11-13-23-14-12-20/h6-9,18,22H,1-5,10-14H2,(H,19,21)
InChIKeyZJEUVQOWSQWQPN-UHFFFAOYSA-N
XLogP2.39
TPSA73.83 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.42
LogP ≤ 52.39
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'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 N-hydroxy-7-(4-morpholin-4-ylanilino)heptanamide?
The IUPAC name of N-hydroxy-7-(4-morpholin-4-ylanilino)heptanamide (CID 86016282) is N-hydroxy-7-(4-morpholin-4-ylanilino)heptanamide.
What is the SMILES notation for N-hydroxy-7-(4-morpholin-4-ylanilino)heptanamide?
The canonical SMILES for N-hydroxy-7-(4-morpholin-4-ylanilino)heptanamide is O=C(CCCCCCNc1ccc(N2CCOCC2)cc1)NO.
What is the InChIKey of N-hydroxy-7-(4-morpholin-4-ylanilino)heptanamide?
The InChIKey is ZJEUVQOWSQWQPN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27N3O3/c21-17(19-22)5-3-1-2-4-10-18-15-6-8-16(9-7-15)20-11-13-23-14-12-20/h6-9,18,22H,1-5,10-14H2,(H,19,21).
What are the key properties of N-hydroxy-7-(4-morpholin-4-ylanilino)heptanamide?
N-hydroxy-7-(4-morpholin-4-ylanilino)heptanamide has a molecular weight of 321.42 g/mol, XLogP of 2.39, 9 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-hydroxy-7-(4-morpholin-4-ylanilino)heptanamide is sourced from PubChem (CID 86016282), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).