N-[(2R)-6-amino-1-(hydroxyamino)-1-oxohexan-2-yl]-10-[2-[(diaminomethylideneamino)methyl]phenyl]decanamide

C24H42N6O3 — CID 6914601

IUPACN-[(2R)-6-amino-1-(hydroxyamino)-1-oxohexan-2-yl]-10-[2-[(diaminomethylideneamino)methyl]phenyl]decanamide
SMILESNCCCC[C@@H](NC(=O)CCCCCCCCCc1ccccc1CN=C(N)N)C(=O)NO
InChIInChI=1S/C24H42N6O3/c25-17-11-10-15-21(23(32)30-33)29-22(31)16-7-5-3-1-2-4-6-12-19-13-8-9-14-20(19)18-28-24(26)27/h8-9,13-14,21,33H,1-7,10-12,15-18,25H2,(H,29,31)(H,30,32)(H4,26,27,28)/t21-/m1/s1
InChIKeyDPKFTMHWVJEOMW-OAQYLSRUSA-N
MW462.64 g/mol
LogP2.24
Rot. Bonds18

About N-[(2R)-6-amino-1-(hydroxyamino)-1-oxohexan-2-yl]-10-[2-[(diaminomethylideneamino)methyl]phenyl]decanamide

N-[(2R)-6-amino-1-(hydroxyamino)-1-oxohexan-2-yl]-10-[2-[(diaminomethylideneamino)methyl]phenyl]decanamide (PubChem CID 6914601) has the molecular formula C24H42N6O3 and a molecular weight of 462.64 g/mol. Its IUPAC name is N-[(2R)-6-amino-1-(hydroxyamino)-1-oxohexan-2-yl]-10-[2-[(diaminomethylideneamino)methyl]phenyl]decanamide.

Molecular Properties

Compound NameN-[(2R)-6-amino-1-(hydroxyamino)-1-oxohexan-2-yl]-10-[2-[(diaminomethylideneamino)methyl]phenyl]decanamide
PubChem CID6914601
Molecular FormulaC24H42N6O3
Molecular Weight462.64 g/mol
Exact Mass462.33
IUPAC NameN-[(2R)-6-amino-1-(hydroxyamino)-1-oxohexan-2-yl]-10-[2-[(diaminomethylideneamino)methyl]phenyl]decanamide
SMILESNCCCC[C@@H](NC(=O)CCCCCCCCCc1ccccc1CN=C(N)N)C(=O)NO
InChIInChI=1S/C24H42N6O3/c25-17-11-10-15-21(23(32)30-33)29-22(31)16-7-5-3-1-2-4-6-12-19-13-8-9-14-20(19)18-28-24(26)27/h8-9,13-14,21,33H,1-7,10-12,15-18,25H2,(H,29,31)(H,30,32)(H4,26,27,28)/t21-/m1/s1
InChIKeyDPKFTMHWVJEOMW-OAQYLSRUSA-N
XLogP2.24
TPSA168.85 Ų
H-Bond Donors6
H-Bond Acceptors5
Rotatable Bonds18
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500462.64
LogP ≤ 52.24
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'hydroxamic_acid', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', '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-[(2R)-6-amino-1-(hydroxyamino)-1-oxohexan-2-yl]-10-[2-[(diaminomethylideneamino)methyl]phenyl]decanamide?
The IUPAC name of N-[(2R)-6-amino-1-(hydroxyamino)-1-oxohexan-2-yl]-10-[2-[(diaminomethylideneamino)methyl]phenyl]decanamide (CID 6914601) is N-[(2R)-6-amino-1-(hydroxyamino)-1-oxohexan-2-yl]-10-[2-[(diaminomethylideneamino)methyl]phenyl]decanamide.
What is the SMILES notation for N-[(2R)-6-amino-1-(hydroxyamino)-1-oxohexan-2-yl]-10-[2-[(diaminomethylideneamino)methyl]phenyl]decanamide?
The canonical SMILES for N-[(2R)-6-amino-1-(hydroxyamino)-1-oxohexan-2-yl]-10-[2-[(diaminomethylideneamino)methyl]phenyl]decanamide is NCCCC[C@@H](NC(=O)CCCCCCCCCc1ccccc1CN=C(N)N)C(=O)NO.
What is the InChIKey of N-[(2R)-6-amino-1-(hydroxyamino)-1-oxohexan-2-yl]-10-[2-[(diaminomethylideneamino)methyl]phenyl]decanamide?
The InChIKey is DPKFTMHWVJEOMW-OAQYLSRUSA-N. The full InChI is InChI=1S/C24H42N6O3/c25-17-11-10-15-21(23(32)30-33)29-22(31)16-7-5-3-1-2-4-6-12-19-13-8-9-14-20(19)18-28-24(26)27/h8-9,13-14,21,33H,1-7,10-12,15-18,25H2,(H,29,31)(H,30,32)(H4,26,27,28)/t21-/m1/s1.
What are the key properties of N-[(2R)-6-amino-1-(hydroxyamino)-1-oxohexan-2-yl]-10-[2-[(diaminomethylideneamino)methyl]phenyl]decanamide?
N-[(2R)-6-amino-1-(hydroxyamino)-1-oxohexan-2-yl]-10-[2-[(diaminomethylideneamino)methyl]phenyl]decanamide has a molecular weight of 462.64 g/mol, XLogP of 2.24, 18 rotatable bonds, 6 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2R)-6-amino-1-(hydroxyamino)-1-oxohexan-2-yl]-10-[2-[(diaminomethylideneamino)methyl]phenyl]decanamide is sourced from PubChem (CID 6914601), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).