N-[(2R)-2-[amino-[4-(methylamino)benzoyl]carbamoyl]heptyl]-N-hydroxyformamide

C17H26N4O4 — CID 87928211

IUPACN-[(2R)-2-[amino-[4-(methylamino)benzoyl]carbamoyl]heptyl]-N-hydroxyformamide
SMILESCCCCC[C@H](CN(O)C=O)C(=O)N(N)C(=O)c1ccc(NC)cc1
InChIInChI=1S/C17H26N4O4/c1-3-4-5-6-14(11-20(25)12-22)17(24)21(18)16(23)13-7-9-15(19-2)10-8-13/h7-10,12,14,19,25H,3-6,11,18H2,1-2H3/t14-/m1/s1
InChIKeyXPOKFWJWMUFLMC-CQSZACIVSA-N
MW350.42 g/mol
LogP1.61
Rot. Bonds10

About N-[(2R)-2-[amino-[4-(methylamino)benzoyl]carbamoyl]heptyl]-N-hydroxyformamide

N-[(2R)-2-[amino-[4-(methylamino)benzoyl]carbamoyl]heptyl]-N-hydroxyformamide (PubChem CID 87928211) has the molecular formula C17H26N4O4 and a molecular weight of 350.42 g/mol. Its IUPAC name is N-[(2R)-2-[amino-[4-(methylamino)benzoyl]carbamoyl]heptyl]-N-hydroxyformamide.

Molecular Properties

Compound NameN-[(2R)-2-[amino-[4-(methylamino)benzoyl]carbamoyl]heptyl]-N-hydroxyformamide
PubChem CID87928211
Molecular FormulaC17H26N4O4
Molecular Weight350.42 g/mol
Exact Mass350.20
IUPAC NameN-[(2R)-2-[amino-[4-(methylamino)benzoyl]carbamoyl]heptyl]-N-hydroxyformamide
SMILESCCCCC[C@H](CN(O)C=O)C(=O)N(N)C(=O)c1ccc(NC)cc1
InChIInChI=1S/C17H26N4O4/c1-3-4-5-6-14(11-20(25)12-22)17(24)21(18)16(23)13-7-9-15(19-2)10-8-13/h7-10,12,14,19,25H,3-6,11,18H2,1-2H3/t14-/m1/s1
InChIKeyXPOKFWJWMUFLMC-CQSZACIVSA-N
XLogP1.61
TPSA115.97 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds10
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.42
LogP ≤ 51.61
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyl_hydrazine', 'substructure': 'N/A'}, {'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'hydroxamic_acid', 'substructure': 'N/A'}

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Related Compounds

N-[(2R)-2-[amino-(4-propan-2-ylpyrimidin-2-yl)carbamoyl]heptyl]-N-hydroxyformamide
CID 87434644
N-[(2R)-2-[amino-[1-(3,4-dichlorobenzoyl)piperidin-4-yl]carbamoyl]heptyl]-N-hydroxyformamide
CID 87696358
N-[2-[[(3,4-dichlorophenyl)carbamoylamino]carbamoyl]heptyl]-N-hydroxyformamide
CID 10111888
N-[(2R)-2-[(furan-3-ylamino)carbamoyl]heptyl]-N-hydroxyformamide
CID 142776027
N-(2-acetylhexyl)-N-hydroxyformamide
CID 142881718
N-hydroxy-N-[(2S)-2-[(pyridin-2-ylamino)carbamoyl]heptyl]formamide
CID 23351789
N-hydroxy-N-[(2R)-2-[[(2-oxo-3H-1-benzofuran-5-carbonyl)amino]carbamoyl]heptyl]formamide
CID 121282105
N-[(2S)-1-(dimethylamino)-3,3-dimethyl-1-oxobutan-2-yl]-2-[[formyl(hydroxy)amino]methyl]heptanamide
CID 59902226
N-hydroxy-N-[(2S)-2-[[(4-methoxyphenyl)methylamino]carbamoyl]heptyl]formamide
CID 87264455
N-[(2S)-2-[[(6-fluoro-2-pyridinyl)amino]carbamoyl]heptyl]-N-hydroxyformamide
CID 87264014
N-[2-[[(5-cyano-2-pyridinyl)amino]carbamoyl]heptyl]-N-hydroxyformamide
CID 87264099
N-benzoylbenzohydrazide;2-nonylpropanedioic acid
CID 175262903

Frequently Asked Questions

What is the IUPAC name of N-[(2R)-2-[amino-[4-(methylamino)benzoyl]carbamoyl]heptyl]-N-hydroxyformamide?
The IUPAC name of N-[(2R)-2-[amino-[4-(methylamino)benzoyl]carbamoyl]heptyl]-N-hydroxyformamide (CID 87928211) is N-[(2R)-2-[amino-[4-(methylamino)benzoyl]carbamoyl]heptyl]-N-hydroxyformamide.
What is the SMILES notation for N-[(2R)-2-[amino-[4-(methylamino)benzoyl]carbamoyl]heptyl]-N-hydroxyformamide?
The canonical SMILES for N-[(2R)-2-[amino-[4-(methylamino)benzoyl]carbamoyl]heptyl]-N-hydroxyformamide is CCCCC[C@H](CN(O)C=O)C(=O)N(N)C(=O)c1ccc(NC)cc1.
What is the InChIKey of N-[(2R)-2-[amino-[4-(methylamino)benzoyl]carbamoyl]heptyl]-N-hydroxyformamide?
The InChIKey is XPOKFWJWMUFLMC-CQSZACIVSA-N. The full InChI is InChI=1S/C17H26N4O4/c1-3-4-5-6-14(11-20(25)12-22)17(24)21(18)16(23)13-7-9-15(19-2)10-8-13/h7-10,12,14,19,25H,3-6,11,18H2,1-2H3/t14-/m1/s1.
What are the key properties of N-[(2R)-2-[amino-[4-(methylamino)benzoyl]carbamoyl]heptyl]-N-hydroxyformamide?
N-[(2R)-2-[amino-[4-(methylamino)benzoyl]carbamoyl]heptyl]-N-hydroxyformamide has a molecular weight of 350.42 g/mol, XLogP of 1.61, 10 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2R)-2-[amino-[4-(methylamino)benzoyl]carbamoyl]heptyl]-N-hydroxyformamide is sourced from PubChem (CID 87928211), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).