N-[2-[(2,3-dihydroxypropylamino)carbamoyl]heptyl]-N-hydroxyformamide

C12H25N3O5 — CID 87264686

IUPACN-[2-[(2,3-dihydroxypropylamino)carbamoyl]heptyl]-N-hydroxyformamide
SMILESCCCCCC(CN(O)C=O)C(=O)NNCC(O)CO
InChIInChI=1S/C12H25N3O5/c1-2-3-4-5-10(7-15(20)9-17)12(19)14-13-6-11(18)8-16/h9-11,13,16,18,20H,2-8H2,1H3,(H,14,19)
InChIKeyIHJGQOHZRATENT-UHFFFAOYSA-N
MW291.35 g/mol
LogP-1.00
Rot. Bonds12

About N-[2-[(2,3-dihydroxypropylamino)carbamoyl]heptyl]-N-hydroxyformamide

N-[2-[(2,3-dihydroxypropylamino)carbamoyl]heptyl]-N-hydroxyformamide (PubChem CID 87264686) has the molecular formula C12H25N3O5 and a molecular weight of 291.35 g/mol. Its IUPAC name is N-[2-[(2,3-dihydroxypropylamino)carbamoyl]heptyl]-N-hydroxyformamide.

Molecular Properties

Compound NameN-[2-[(2,3-dihydroxypropylamino)carbamoyl]heptyl]-N-hydroxyformamide
PubChem CID87264686
Molecular FormulaC12H25N3O5
Molecular Weight291.35 g/mol
Exact Mass291.18
IUPAC NameN-[2-[(2,3-dihydroxypropylamino)carbamoyl]heptyl]-N-hydroxyformamide
SMILESCCCCCC(CN(O)C=O)C(=O)NNCC(O)CO
InChIInChI=1S/C12H25N3O5/c1-2-3-4-5-10(7-15(20)9-17)12(19)14-13-6-11(18)8-16/h9-11,13,16,18,20H,2-8H2,1H3,(H,14,19)
InChIKeyIHJGQOHZRATENT-UHFFFAOYSA-N
XLogP-1.00
TPSA122.13 Ų
H-Bond Donors5
H-Bond Acceptors6
Rotatable Bonds12
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.35
LogP ≤ 5-1.00
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 106

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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Related Compounds

N-hydroxy-N-[(2S)-2-[[(4-methoxyphenyl)methylamino]carbamoyl]heptyl]formamide
CID 87264455
N-(2-acetylhexyl)-N-hydroxyformamide
CID 142881718
N-[(2R)-2-[(furan-3-ylamino)carbamoyl]heptyl]-N-hydroxyformamide
CID 142776027
N-hydroxy-N-[(2S)-2-[(pyridin-2-ylamino)carbamoyl]heptyl]formamide
CID 23351789
N-[(2S)-1-(dimethylamino)-3,3-dimethyl-1-oxobutan-2-yl]-2-[[formyl(hydroxy)amino]methyl]heptanamide
CID 59902226
N-[(2S)-2-[[(6-fluoro-2-pyridinyl)amino]carbamoyl]heptyl]-N-hydroxyformamide
CID 87264014
N-hydroxy-N-[(2S)-2-[[[6-(trifluoromethyl)pyridazin-3-yl]amino]carbamoyl]heptyl]formamide
CID 87264048
N-[(2R)-2-[[[4-(aminomethyl)-5,6-dimethylpyrimidin-2-yl]amino]carbamoyl]heptyl]-N-hydroxyformamide
CID 87264719
N-[(2R)-2-[[[2-(1,3-benzodioxol-5-yl)acetyl]amino]carbamoyl]heptyl]-N-hydroxyformamide
CID 21019696
N-[1-(dimethylamino)-3-methyl-1-oxopentan-2-yl]-2-[[formyl(hydroxy)amino]methyl]hexanamide
CID 22096280
N-[2-[[(6-ethoxy-2-pyridinyl)amino]carbamoyl]heptyl]-N-hydroxyformamide
CID 87264131
N-[2-[[(5-cyano-2-pyridinyl)amino]carbamoyl]heptyl]-N-hydroxyformamide
CID 87264099

Frequently Asked Questions

What is the IUPAC name of N-[2-[(2,3-dihydroxypropylamino)carbamoyl]heptyl]-N-hydroxyformamide?
The IUPAC name of N-[2-[(2,3-dihydroxypropylamino)carbamoyl]heptyl]-N-hydroxyformamide (CID 87264686) is N-[2-[(2,3-dihydroxypropylamino)carbamoyl]heptyl]-N-hydroxyformamide.
What is the SMILES notation for N-[2-[(2,3-dihydroxypropylamino)carbamoyl]heptyl]-N-hydroxyformamide?
The canonical SMILES for N-[2-[(2,3-dihydroxypropylamino)carbamoyl]heptyl]-N-hydroxyformamide is CCCCCC(CN(O)C=O)C(=O)NNCC(O)CO.
What is the InChIKey of N-[2-[(2,3-dihydroxypropylamino)carbamoyl]heptyl]-N-hydroxyformamide?
The InChIKey is IHJGQOHZRATENT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H25N3O5/c1-2-3-4-5-10(7-15(20)9-17)12(19)14-13-6-11(18)8-16/h9-11,13,16,18,20H,2-8H2,1H3,(H,14,19).
What are the key properties of N-[2-[(2,3-dihydroxypropylamino)carbamoyl]heptyl]-N-hydroxyformamide?
N-[2-[(2,3-dihydroxypropylamino)carbamoyl]heptyl]-N-hydroxyformamide has a molecular weight of 291.35 g/mol, XLogP of -1.00, 12 rotatable bonds, 5 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[(2,3-dihydroxypropylamino)carbamoyl]heptyl]-N-hydroxyformamide is sourced from PubChem (CID 87264686), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).