N-hydroxy-N-[(2S)-2-[[(4-morpholin-4-yl-6-propyl-1,3,5-triazin-2-yl)amino]carbamoyl]heptyl]formamide

C19H33N7O4 — CID 87263865

IUPACN-hydroxy-N-[(2S)-2-[[(4-morpholin-4-yl-6-propyl-1,3,5-triazin-2-yl)amino]carbamoyl]heptyl]formamide
SMILESCCCCC[C@@H](CN(O)C=O)C(=O)NNc1nc(CCC)nc(N2CCOCC2)n1
InChIInChI=1S/C19H33N7O4/c1-3-5-6-8-15(13-26(29)14-27)17(28)23-24-18-20-16(7-4-2)21-19(22-18)25-9-11-30-12-10-25/h14-15,29H,3-13H2,1-2H3,(H,23,28)(H,20,21,22,24)/t15-/m0/s1
InChIKeyWGYJTCLWXKYSQE-HNNXBMFYSA-N
MW423.52 g/mol
LogP1.15
Rot. Bonds13

About N-hydroxy-N-[(2S)-2-[[(4-morpholin-4-yl-6-propyl-1,3,5-triazin-2-yl)amino]carbamoyl]heptyl]formamide

N-hydroxy-N-[(2S)-2-[[(4-morpholin-4-yl-6-propyl-1,3,5-triazin-2-yl)amino]carbamoyl]heptyl]formamide (PubChem CID 87263865) has the molecular formula C19H33N7O4 and a molecular weight of 423.52 g/mol. Its IUPAC name is N-hydroxy-N-[(2S)-2-[[(4-morpholin-4-yl-6-propyl-1,3,5-triazin-2-yl)amino]carbamoyl]heptyl]formamide.

Molecular Properties

Compound NameN-hydroxy-N-[(2S)-2-[[(4-morpholin-4-yl-6-propyl-1,3,5-triazin-2-yl)amino]carbamoyl]heptyl]formamide
PubChem CID87263865
Molecular FormulaC19H33N7O4
Molecular Weight423.52 g/mol
Exact Mass423.26
IUPAC NameN-hydroxy-N-[(2S)-2-[[(4-morpholin-4-yl-6-propyl-1,3,5-triazin-2-yl)amino]carbamoyl]heptyl]formamide
SMILESCCCCC[C@@H](CN(O)C=O)C(=O)NNc1nc(CCC)nc(N2CCOCC2)n1
InChIInChI=1S/C19H33N7O4/c1-3-5-6-8-15(13-26(29)14-27)17(28)23-24-18-20-16(7-4-2)21-19(22-18)25-9-11-30-12-10-25/h14-15,29H,3-13H2,1-2H3,(H,23,28)(H,20,21,22,24)/t15-/m0/s1
InChIKeyWGYJTCLWXKYSQE-HNNXBMFYSA-N
XLogP1.15
TPSA132.81 Ų
H-Bond Donors3
H-Bond Acceptors9
Rotatable Bonds13
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500423.52
LogP ≤ 51.15
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-[(2S)-2-[[(4-morpholin-4-yl-6-propyl-1,3,5-triazin-2-yl)amino]carbamoyl]heptyl]formamide?
The IUPAC name of N-hydroxy-N-[(2S)-2-[[(4-morpholin-4-yl-6-propyl-1,3,5-triazin-2-yl)amino]carbamoyl]heptyl]formamide (CID 87263865) is N-hydroxy-N-[(2S)-2-[[(4-morpholin-4-yl-6-propyl-1,3,5-triazin-2-yl)amino]carbamoyl]heptyl]formamide.
What is the SMILES notation for N-hydroxy-N-[(2S)-2-[[(4-morpholin-4-yl-6-propyl-1,3,5-triazin-2-yl)amino]carbamoyl]heptyl]formamide?
The canonical SMILES for N-hydroxy-N-[(2S)-2-[[(4-morpholin-4-yl-6-propyl-1,3,5-triazin-2-yl)amino]carbamoyl]heptyl]formamide is CCCCC[C@@H](CN(O)C=O)C(=O)NNc1nc(CCC)nc(N2CCOCC2)n1.
What is the InChIKey of N-hydroxy-N-[(2S)-2-[[(4-morpholin-4-yl-6-propyl-1,3,5-triazin-2-yl)amino]carbamoyl]heptyl]formamide?
The InChIKey is WGYJTCLWXKYSQE-HNNXBMFYSA-N. The full InChI is InChI=1S/C19H33N7O4/c1-3-5-6-8-15(13-26(29)14-27)17(28)23-24-18-20-16(7-4-2)21-19(22-18)25-9-11-30-12-10-25/h14-15,29H,3-13H2,1-2H3,(H,23,28)(H,20,21,22,24)/t15-/m0/s1.
What are the key properties of N-hydroxy-N-[(2S)-2-[[(4-morpholin-4-yl-6-propyl-1,3,5-triazin-2-yl)amino]carbamoyl]heptyl]formamide?
N-hydroxy-N-[(2S)-2-[[(4-morpholin-4-yl-6-propyl-1,3,5-triazin-2-yl)amino]carbamoyl]heptyl]formamide has a molecular weight of 423.52 g/mol, XLogP of 1.15, 13 rotatable bonds, 3 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for N-hydroxy-N-[(2S)-2-[[(4-morpholin-4-yl-6-propyl-1,3,5-triazin-2-yl)amino]carbamoyl]heptyl]formamide is sourced from PubChem (CID 87263865), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).