3-[(Z)-C-benzyl-N-hydroxycarbonimidoyl]-N-hydroxyheptanamide

C15H22N2O3 — CID 87853916

IUPAC3-[(Z)-C-benzyl-N-hydroxycarbonimidoyl]-N-hydroxyheptanamide
SMILESCCCCC(CC(=O)NO)/C(Cc1ccccc1)=N\O
InChIInChI=1S/C15H22N2O3/c1-2-3-9-13(11-15(18)17-20)14(16-19)10-12-7-5-4-6-8-12/h4-8,13,19-20H,2-3,9-11H2,1H3,(H,17,18)/b16-14-
InChIKeyGOPHODZVBNHISM-PEZBUJJGSA-N
MW278.35 g/mol
LogP2.76
Rot. Bonds8

About 3-[(Z)-C-benzyl-N-hydroxycarbonimidoyl]-N-hydroxyheptanamide

3-[(Z)-C-benzyl-N-hydroxycarbonimidoyl]-N-hydroxyheptanamide (PubChem CID 87853916) has the molecular formula C15H22N2O3 and a molecular weight of 278.35 g/mol. Its IUPAC name is 3-[(Z)-C-benzyl-N-hydroxycarbonimidoyl]-N-hydroxyheptanamide.

Molecular Properties

Compound Name3-[(Z)-C-benzyl-N-hydroxycarbonimidoyl]-N-hydroxyheptanamide
PubChem CID87853916
Molecular FormulaC15H22N2O3
Molecular Weight278.35 g/mol
Exact Mass278.16
IUPAC Name3-[(Z)-C-benzyl-N-hydroxycarbonimidoyl]-N-hydroxyheptanamide
SMILESCCCCC(CC(=O)NO)/C(Cc1ccccc1)=N\O
InChIInChI=1S/C15H22N2O3/c1-2-3-9-13(11-15(18)17-20)14(16-19)10-12-7-5-4-6-8-12/h4-8,13,19-20H,2-3,9-11H2,1H3,(H,17,18)/b16-14-
InChIKeyGOPHODZVBNHISM-PEZBUJJGSA-N
XLogP2.76
TPSA81.92 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.35
LogP ≤ 52.76
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydroxamic_acid', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'oxime_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

2-phenyl-N-[1-[(2-phenylacetyl)amino]pentyl]acetamide
CID 71451972
benzyl 2-butylhexanoate
CID 175287311
2-(3-phenylprop-1-en-2-yl)hexanoic acid
CID 134980691
(2S)-2-[[2-(3-chlorophenyl)acetyl]amino]hexanoic acid
CID 94460375
4-phenylmethoxycarbonyloctanoic acid
CID 68803226
(3S)-3-[(2-aminophenyl)sulfonylamino]-N-hydroxyheptanamide
CID 131857615
N-hexan-3-yl-2-phenylacetamide
CID 129166933
N-(2-phenylacetyl)octadecanamide
CID 175258087
2-benzyldodecanoic acid
CID 14250629
(2S)-2-[[2-(4-ethylphenyl)acetyl]amino]hexanoic acid
CID 120615590
benzyl 2-ethylhexanoate;hydrochloride
CID 141200166
(2S)-2-[[(2R)-2-benzyl-5,5-dimethyl-4-oxohexanoyl]amino]hexanoic acid
CID 18659792

Frequently Asked Questions

What is the IUPAC name of 3-[(Z)-C-benzyl-N-hydroxycarbonimidoyl]-N-hydroxyheptanamide?
The IUPAC name of 3-[(Z)-C-benzyl-N-hydroxycarbonimidoyl]-N-hydroxyheptanamide (CID 87853916) is 3-[(Z)-C-benzyl-N-hydroxycarbonimidoyl]-N-hydroxyheptanamide.
What is the SMILES notation for 3-[(Z)-C-benzyl-N-hydroxycarbonimidoyl]-N-hydroxyheptanamide?
The canonical SMILES for 3-[(Z)-C-benzyl-N-hydroxycarbonimidoyl]-N-hydroxyheptanamide is CCCCC(CC(=O)NO)/C(Cc1ccccc1)=N\O.
What is the InChIKey of 3-[(Z)-C-benzyl-N-hydroxycarbonimidoyl]-N-hydroxyheptanamide?
The InChIKey is GOPHODZVBNHISM-PEZBUJJGSA-N. The full InChI is InChI=1S/C15H22N2O3/c1-2-3-9-13(11-15(18)17-20)14(16-19)10-12-7-5-4-6-8-12/h4-8,13,19-20H,2-3,9-11H2,1H3,(H,17,18)/b16-14-.
What are the key properties of 3-[(Z)-C-benzyl-N-hydroxycarbonimidoyl]-N-hydroxyheptanamide?
3-[(Z)-C-benzyl-N-hydroxycarbonimidoyl]-N-hydroxyheptanamide has a molecular weight of 278.35 g/mol, XLogP of 2.76, 8 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(Z)-C-benzyl-N-hydroxycarbonimidoyl]-N-hydroxyheptanamide is sourced from PubChem (CID 87853916), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).