N-(3-amino-3-hydroxyiminopropyl)-3-iodo-N-(2-methylpropyl)benzamide

C14H20IN3O2 — CID 76917368

IUPACN-(3-amino-3-hydroxyiminopropyl)-3-iodo-N-(2-methylpropyl)benzamide
SMILESCC(C)CN(CCC(N)=NO)C(=O)c1cccc(I)c1
InChIInChI=1S/C14H20IN3O2/c1-10(2)9-18(7-6-13(16)17-20)14(19)11-4-3-5-12(15)8-11/h3-5,8,10,20H,6-7,9H2,1-2H3,(H2,16,17)
InChIKeyMVCYRSCRBXDEOE-UHFFFAOYSA-N
MW389.24 g/mol
LogP2.53
Rot. Bonds6

About N-(3-amino-3-hydroxyiminopropyl)-3-iodo-N-(2-methylpropyl)benzamide

N-(3-amino-3-hydroxyiminopropyl)-3-iodo-N-(2-methylpropyl)benzamide (PubChem CID 76917368) has the molecular formula C14H20IN3O2 and a molecular weight of 389.24 g/mol. Its IUPAC name is N-(3-amino-3-hydroxyiminopropyl)-3-iodo-N-(2-methylpropyl)benzamide.

Molecular Properties

Compound NameN-(3-amino-3-hydroxyiminopropyl)-3-iodo-N-(2-methylpropyl)benzamide
PubChem CID76917368
Molecular FormulaC14H20IN3O2
Molecular Weight389.24 g/mol
Exact Mass389.06
IUPAC NameN-(3-amino-3-hydroxyiminopropyl)-3-iodo-N-(2-methylpropyl)benzamide
SMILESCC(C)CN(CCC(N)=NO)C(=O)c1cccc(I)c1
InChIInChI=1S/C14H20IN3O2/c1-10(2)9-18(7-6-13(16)17-20)14(19)11-4-3-5-12(15)8-11/h3-5,8,10,20H,6-7,9H2,1-2H3,(H2,16,17)
InChIKeyMVCYRSCRBXDEOE-UHFFFAOYSA-N
XLogP2.53
TPSA78.92 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.24
LogP ≤ 52.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'iodine', '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

N-(3-amino-3-hydroxyiminopropyl)-4-fluoro-N-(2-methylpropyl)benzamide
CID 76917276
N-(2-amino-2-hydroxyiminoethyl)-N-ethyl-3-iodobenzamide
CID 76929197
N-(3-amino-3-hydroxyiminopropyl)-4-bromo-3-fluoro-N-(2-methylpropyl)benzamide
CID 76914023
N-(2-cyanoethyl)-3-iodo-N-(2-methylpropyl)benzamide
CID 60654556
3-iodo-N,N-bis(3-methylbutyl)benzamide
CID 60653047
N-[(3Z)-3-amino-3-hydroxyiminopropyl]-N-(2-methylpropyl)pyridazine-4-carboxamide
CID 104671971
3-iodo-N-(2-methylpropyl)-N-(2,2,2-trifluoroethyl)benzamide
CID 54938230
N-(3-amino-3-hydroxyiminopropyl)-N-ethyl-3-propan-2-yloxybenzamide
CID 76977901
N-[(3Z)-3-amino-3-hydroxyiminopropyl]-5-fluoro-2-hydroxy-N-(2-methylpropyl)benzamide
CID 115299504
N-[(3Z)-3-amino-3-hydroxyiminopropyl]-N-ethyl-4-iodobenzamide
CID 54993141
N-(3-amino-3-hydroxyiminopropyl)-3-iodobenzamide
CID 76952651
N-(3-amino-3-hydroxyiminopropyl)-3-methyl-N-(2-methylpropyl)furan-2-carboxamide
CID 76917214

Frequently Asked Questions

What is the IUPAC name of N-(3-amino-3-hydroxyiminopropyl)-3-iodo-N-(2-methylpropyl)benzamide?
The IUPAC name of N-(3-amino-3-hydroxyiminopropyl)-3-iodo-N-(2-methylpropyl)benzamide (CID 76917368) is N-(3-amino-3-hydroxyiminopropyl)-3-iodo-N-(2-methylpropyl)benzamide.
What is the SMILES notation for N-(3-amino-3-hydroxyiminopropyl)-3-iodo-N-(2-methylpropyl)benzamide?
The canonical SMILES for N-(3-amino-3-hydroxyiminopropyl)-3-iodo-N-(2-methylpropyl)benzamide is CC(C)CN(CCC(N)=NO)C(=O)c1cccc(I)c1.
What is the InChIKey of N-(3-amino-3-hydroxyiminopropyl)-3-iodo-N-(2-methylpropyl)benzamide?
The InChIKey is MVCYRSCRBXDEOE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20IN3O2/c1-10(2)9-18(7-6-13(16)17-20)14(19)11-4-3-5-12(15)8-11/h3-5,8,10,20H,6-7,9H2,1-2H3,(H2,16,17).
What are the key properties of N-(3-amino-3-hydroxyiminopropyl)-3-iodo-N-(2-methylpropyl)benzamide?
N-(3-amino-3-hydroxyiminopropyl)-3-iodo-N-(2-methylpropyl)benzamide has a molecular weight of 389.24 g/mol, XLogP of 2.53, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-amino-3-hydroxyiminopropyl)-3-iodo-N-(2-methylpropyl)benzamide is sourced from PubChem (CID 76917368), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).