N-hydroxy-N-[(2R)-2-[[[4-[2-methoxyethyl(methyl)amino]-6-methyl-1,3,5-triazin-2-yl]amino]carbamoyl]heptyl]formamide

C17H31N7O4 — CID 87263796

IUPACN-hydroxy-N-[(2R)-2-[[[4-[2-methoxyethyl(methyl)amino]-6-methyl-1,3,5-triazin-2-yl]amino]carbamoyl]heptyl]formamide
SMILESCCCCC[C@H](CN(O)C=O)C(=O)NNc1nc(C)nc(N(C)CCOC)n1
InChIInChI=1S/C17H31N7O4/c1-5-6-7-8-14(11-24(27)12-25)15(26)21-22-16-18-13(2)19-17(20-16)23(3)9-10-28-4/h12,14,27H,5-11H2,1-4H3,(H,21,26)(H,18,19,20,22)/t14-/m1/s1
InChIKeyGIUXBGDUKPQXBQ-CQSZACIVSA-N
MW397.48 g/mol
LogP0.75
Rot. Bonds14

About N-hydroxy-N-[(2R)-2-[[[4-[2-methoxyethyl(methyl)amino]-6-methyl-1,3,5-triazin-2-yl]amino]carbamoyl]heptyl]formamide

N-hydroxy-N-[(2R)-2-[[[4-[2-methoxyethyl(methyl)amino]-6-methyl-1,3,5-triazin-2-yl]amino]carbamoyl]heptyl]formamide (PubChem CID 87263796) 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]-6-methyl-1,3,5-triazin-2-yl]amino]carbamoyl]heptyl]formamide.

Molecular Properties

Compound NameN-hydroxy-N-[(2R)-2-[[[4-[2-methoxyethyl(methyl)amino]-6-methyl-1,3,5-triazin-2-yl]amino]carbamoyl]heptyl]formamide
PubChem CID87263796
Molecular FormulaC17H31N7O4
Molecular Weight397.48 g/mol
Exact Mass397.24
IUPAC NameN-hydroxy-N-[(2R)-2-[[[4-[2-methoxyethyl(methyl)amino]-6-methyl-1,3,5-triazin-2-yl]amino]carbamoyl]heptyl]formamide
SMILESCCCCC[C@H](CN(O)C=O)C(=O)NNc1nc(C)nc(N(C)CCOC)n1
InChIInChI=1S/C17H31N7O4/c1-5-6-7-8-14(11-24(27)12-25)15(26)21-22-16-18-13(2)19-17(20-16)23(3)9-10-28-4/h12,14,27H,5-11H2,1-4H3,(H,21,26)(H,18,19,20,22)/t14-/m1/s1
InChIKeyGIUXBGDUKPQXBQ-CQSZACIVSA-N
XLogP0.75
TPSA132.81 Ų
H-Bond Donors3
H-Bond Acceptors9
Rotatable Bonds14
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500397.48
LogP ≤ 50.75
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]-6-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]-6-methyl-1,3,5-triazin-2-yl]amino]carbamoyl]heptyl]formamide (CID 87263796) is N-hydroxy-N-[(2R)-2-[[[4-[2-methoxyethyl(methyl)amino]-6-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]-6-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]-6-methyl-1,3,5-triazin-2-yl]amino]carbamoyl]heptyl]formamide is CCCCC[C@H](CN(O)C=O)C(=O)NNc1nc(C)nc(N(C)CCOC)n1.
What is the InChIKey of N-hydroxy-N-[(2R)-2-[[[4-[2-methoxyethyl(methyl)amino]-6-methyl-1,3,5-triazin-2-yl]amino]carbamoyl]heptyl]formamide?
The InChIKey is GIUXBGDUKPQXBQ-CQSZACIVSA-N. The full InChI is InChI=1S/C17H31N7O4/c1-5-6-7-8-14(11-24(27)12-25)15(26)21-22-16-18-13(2)19-17(20-16)23(3)9-10-28-4/h12,14,27H,5-11H2,1-4H3,(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]-6-methyl-1,3,5-triazin-2-yl]amino]carbamoyl]heptyl]formamide?
N-hydroxy-N-[(2R)-2-[[[4-[2-methoxyethyl(methyl)amino]-6-methyl-1,3,5-triazin-2-yl]amino]carbamoyl]heptyl]formamide has a molecular weight of 397.48 g/mol, XLogP of 0.75, 14 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]-6-methyl-1,3,5-triazin-2-yl]amino]carbamoyl]heptyl]formamide is sourced from PubChem (CID 87263796), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).