N-hydroxy-N-[(2R)-2-[[[4-[[2-methoxyethyl(methyl)amino]methyl]-1,3,5-triazin-2-yl]amino]carbamoyl]heptyl]formamide

C17H31N7O4 — CID 87263795

IUPACN-hydroxy-N-[(2R)-2-[[[4-[[2-methoxyethyl(methyl)amino]methyl]-1,3,5-triazin-2-yl]amino]carbamoyl]heptyl]formamide
SMILESCCCCC[C@H](CN(O)C=O)C(=O)NNc1ncnc(CN(C)CCOC)n1
InChIInChI=1S/C17H31N7O4/c1-4-5-6-7-14(10-24(27)13-25)16(26)21-22-17-19-12-18-15(20-17)11-23(2)8-9-28-3/h12-14,27H,4-11H2,1-3H3,(H,21,26)(H,18,19,20,22)/t14-/m1/s1
InChIKeyGINLNXKVKZEOAR-CQSZACIVSA-N
MW397.48 g/mol
LogP0.44
Rot. Bonds15

About N-hydroxy-N-[(2R)-2-[[[4-[[2-methoxyethyl(methyl)amino]methyl]-1,3,5-triazin-2-yl]amino]carbamoyl]heptyl]formamide

N-hydroxy-N-[(2R)-2-[[[4-[[2-methoxyethyl(methyl)amino]methyl]-1,3,5-triazin-2-yl]amino]carbamoyl]heptyl]formamide (PubChem CID 87263795) has the molecular formula C17H31N7O4 and a molecular weight of 397.48 g/mol. Its IUPAC name is N-hydroxy-N-[(2R)-2-[[[4-[[2-methoxyethyl(methyl)amino]methyl]-1,3,5-triazin-2-yl]amino]carbamoyl]heptyl]formamide.

Molecular Properties

Compound NameN-hydroxy-N-[(2R)-2-[[[4-[[2-methoxyethyl(methyl)amino]methyl]-1,3,5-triazin-2-yl]amino]carbamoyl]heptyl]formamide
PubChem CID87263795
Molecular FormulaC17H31N7O4
Molecular Weight397.48 g/mol
Exact Mass397.24
IUPAC NameN-hydroxy-N-[(2R)-2-[[[4-[[2-methoxyethyl(methyl)amino]methyl]-1,3,5-triazin-2-yl]amino]carbamoyl]heptyl]formamide
SMILESCCCCC[C@H](CN(O)C=O)C(=O)NNc1ncnc(CN(C)CCOC)n1
InChIInChI=1S/C17H31N7O4/c1-4-5-6-7-14(10-24(27)13-25)16(26)21-22-17-19-12-18-15(20-17)11-23(2)8-9-28-3/h12-14,27H,4-11H2,1-3H3,(H,21,26)(H,18,19,20,22)/t14-/m1/s1
InChIKeyGINLNXKVKZEOAR-CQSZACIVSA-N
XLogP0.44
TPSA132.81 Ų
H-Bond Donors3
H-Bond Acceptors9
Rotatable Bonds15
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500397.48
LogP ≤ 50.44
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 109

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', '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-N-[(2R)-2-[[[4-[[2-methoxyethyl(methyl)amino]methyl]-1,3,5-triazin-2-yl]amino]carbamoyl]heptyl]formamide?
The IUPAC name of N-hydroxy-N-[(2R)-2-[[[4-[[2-methoxyethyl(methyl)amino]methyl]-1,3,5-triazin-2-yl]amino]carbamoyl]heptyl]formamide (CID 87263795) is N-hydroxy-N-[(2R)-2-[[[4-[[2-methoxyethyl(methyl)amino]methyl]-1,3,5-triazin-2-yl]amino]carbamoyl]heptyl]formamide.
What is the SMILES notation for N-hydroxy-N-[(2R)-2-[[[4-[[2-methoxyethyl(methyl)amino]methyl]-1,3,5-triazin-2-yl]amino]carbamoyl]heptyl]formamide?
The canonical SMILES for N-hydroxy-N-[(2R)-2-[[[4-[[2-methoxyethyl(methyl)amino]methyl]-1,3,5-triazin-2-yl]amino]carbamoyl]heptyl]formamide is CCCCC[C@H](CN(O)C=O)C(=O)NNc1ncnc(CN(C)CCOC)n1.
What is the InChIKey of N-hydroxy-N-[(2R)-2-[[[4-[[2-methoxyethyl(methyl)amino]methyl]-1,3,5-triazin-2-yl]amino]carbamoyl]heptyl]formamide?
The InChIKey is GINLNXKVKZEOAR-CQSZACIVSA-N. The full InChI is InChI=1S/C17H31N7O4/c1-4-5-6-7-14(10-24(27)13-25)16(26)21-22-17-19-12-18-15(20-17)11-23(2)8-9-28-3/h12-14,27H,4-11H2,1-3H3,(H,21,26)(H,18,19,20,22)/t14-/m1/s1.
What are the key properties of N-hydroxy-N-[(2R)-2-[[[4-[[2-methoxyethyl(methyl)amino]methyl]-1,3,5-triazin-2-yl]amino]carbamoyl]heptyl]formamide?
N-hydroxy-N-[(2R)-2-[[[4-[[2-methoxyethyl(methyl)amino]methyl]-1,3,5-triazin-2-yl]amino]carbamoyl]heptyl]formamide has a molecular weight of 397.48 g/mol, XLogP of 0.44, 15 rotatable bonds, 3 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for N-hydroxy-N-[(2R)-2-[[[4-[[2-methoxyethyl(methyl)amino]methyl]-1,3,5-triazin-2-yl]amino]carbamoyl]heptyl]formamide is sourced from PubChem (CID 87263795), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).