N-[(2R)-2-[[[2-(1,3-benzodioxol-5-yl)acetyl]amino]carbamoyl]heptyl]-N-hydroxyformamide

C18H25N3O6 — CID 21019696

IUPACN-[(2R)-2-[[[2-(1,3-benzodioxol-5-yl)acetyl]amino]carbamoyl]heptyl]-N-hydroxyformamide
SMILESCCCCC[C@H](CN(O)C=O)C(=O)NNC(=O)Cc1ccc2c(c1)OCO2
InChIInChI=1S/C18H25N3O6/c1-2-3-4-5-14(10-21(25)11-22)18(24)20-19-17(23)9-13-6-7-15-16(8-13)27-12-26-15/h6-8,11,14,25H,2-5,9-10,12H2,1H3,(H,19,23)(H,20,24)/t14-/m1/s1
InChIKeyKXRFYYZLIYWNKN-CQSZACIVSA-N
MW379.41 g/mol
LogP1.15
Rot. Bonds10

About N-[(2R)-2-[[[2-(1,3-benzodioxol-5-yl)acetyl]amino]carbamoyl]heptyl]-N-hydroxyformamide

N-[(2R)-2-[[[2-(1,3-benzodioxol-5-yl)acetyl]amino]carbamoyl]heptyl]-N-hydroxyformamide (PubChem CID 21019696) has the molecular formula C18H25N3O6 and a molecular weight of 379.41 g/mol. Its IUPAC name is N-[(2R)-2-[[[2-(1,3-benzodioxol-5-yl)acetyl]amino]carbamoyl]heptyl]-N-hydroxyformamide.

Molecular Properties

Compound NameN-[(2R)-2-[[[2-(1,3-benzodioxol-5-yl)acetyl]amino]carbamoyl]heptyl]-N-hydroxyformamide
PubChem CID21019696
Molecular FormulaC18H25N3O6
Molecular Weight379.41 g/mol
Exact Mass379.17
IUPAC NameN-[(2R)-2-[[[2-(1,3-benzodioxol-5-yl)acetyl]amino]carbamoyl]heptyl]-N-hydroxyformamide
SMILESCCCCC[C@H](CN(O)C=O)C(=O)NNC(=O)Cc1ccc2c(c1)OCO2
InChIInChI=1S/C18H25N3O6/c1-2-3-4-5-14(10-21(25)11-22)18(24)20-19-17(23)9-13-6-7-15-16(8-13)27-12-26-15/h6-8,11,14,25H,2-5,9-10,12H2,1H3,(H,19,23)(H,20,24)/t14-/m1/s1
InChIKeyKXRFYYZLIYWNKN-CQSZACIVSA-N
XLogP1.15
TPSA117.20 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds10
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.41
LogP ≤ 51.15
H-Bond Donors ≤ 53
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-[(2R)-2-[[(2-oxo-3H-1-benzofuran-5-carbonyl)amino]carbamoyl]heptyl]formamide
CID 121282105
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CID 87264455
N-[2-[[(3,4-dichlorophenyl)carbamoylamino]carbamoyl]heptyl]-N-hydroxyformamide
CID 10111888
N-[2-[5-(1,3-benzodioxol-5-yl)-1,3,4-oxadiazol-2-yl]heptyl]-N-hydroxyformamide
CID 11163828
N-[2-[(2,3-dihydroxypropylamino)carbamoyl]heptyl]-N-hydroxyformamide
CID 87264686
1-(1,3-benzodioxol-5-yl)-3-(dodecanoylamino)urea
CID 17268294
3-(1,3-benzodioxol-5-yl)-N-butylpropanamide
CID 53278203
5-(3-ethylphenyl)-N-[[2-[[formyl(hydroxy)amino]methyl]heptanoylamino]methyl]furan-2-carboxamide
CID 144883941
N-hydroxy-N-[(2S)-2-[[[6-(trifluoromethyl)pyridazin-3-yl]amino]carbamoyl]heptyl]formamide
CID 87264048
N-(1,3-benzodioxol-5-yl)nonanamide
CID 5213416
3-[[2-(1,3-benzodioxol-5-yl)acetyl]amino]-N-propylpropanamide
CID 86822152
N-hydroxy-N-[2-[[(6-morpholin-4-ylpyrimidin-4-yl)amino]carbamoyl]heptyl]formamide
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Frequently Asked Questions

What is the IUPAC name of N-[(2R)-2-[[[2-(1,3-benzodioxol-5-yl)acetyl]amino]carbamoyl]heptyl]-N-hydroxyformamide?
The IUPAC name of N-[(2R)-2-[[[2-(1,3-benzodioxol-5-yl)acetyl]amino]carbamoyl]heptyl]-N-hydroxyformamide (CID 21019696) is N-[(2R)-2-[[[2-(1,3-benzodioxol-5-yl)acetyl]amino]carbamoyl]heptyl]-N-hydroxyformamide.
What is the SMILES notation for N-[(2R)-2-[[[2-(1,3-benzodioxol-5-yl)acetyl]amino]carbamoyl]heptyl]-N-hydroxyformamide?
The canonical SMILES for N-[(2R)-2-[[[2-(1,3-benzodioxol-5-yl)acetyl]amino]carbamoyl]heptyl]-N-hydroxyformamide is CCCCC[C@H](CN(O)C=O)C(=O)NNC(=O)Cc1ccc2c(c1)OCO2.
What is the InChIKey of N-[(2R)-2-[[[2-(1,3-benzodioxol-5-yl)acetyl]amino]carbamoyl]heptyl]-N-hydroxyformamide?
The InChIKey is KXRFYYZLIYWNKN-CQSZACIVSA-N. The full InChI is InChI=1S/C18H25N3O6/c1-2-3-4-5-14(10-21(25)11-22)18(24)20-19-17(23)9-13-6-7-15-16(8-13)27-12-26-15/h6-8,11,14,25H,2-5,9-10,12H2,1H3,(H,19,23)(H,20,24)/t14-/m1/s1.
What are the key properties of N-[(2R)-2-[[[2-(1,3-benzodioxol-5-yl)acetyl]amino]carbamoyl]heptyl]-N-hydroxyformamide?
N-[(2R)-2-[[[2-(1,3-benzodioxol-5-yl)acetyl]amino]carbamoyl]heptyl]-N-hydroxyformamide has a molecular weight of 379.41 g/mol, XLogP of 1.15, 10 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2R)-2-[[[2-(1,3-benzodioxol-5-yl)acetyl]amino]carbamoyl]heptyl]-N-hydroxyformamide is sourced from PubChem (CID 21019696), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).