N-[(3Z)-3-amino-3-hydroxyimino-2-methylpropyl]-N,2-diethylhexanamide

C14H29N3O2 — CID 54987585

IUPACN-[(3Z)-3-amino-3-hydroxyimino-2-methylpropyl]-N,2-diethylhexanamide
SMILESCCCCC(CC)C(=O)N(CC)CC(C)/C(N)=N/O
InChIInChI=1S/C14H29N3O2/c1-5-8-9-12(6-2)14(18)17(7-3)10-11(4)13(15)16-19/h11-12,19H,5-10H2,1-4H3,(H2,15,16)
InChIKeyNRKZXTMSZFMAES-UHFFFAOYSA-N
MW271.40 g/mol
LogP2.43
Rot. Bonds9

About N-[(3Z)-3-amino-3-hydroxyimino-2-methylpropyl]-N,2-diethylhexanamide

N-[(3Z)-3-amino-3-hydroxyimino-2-methylpropyl]-N,2-diethylhexanamide (PubChem CID 54987585) has the molecular formula C14H29N3O2 and a molecular weight of 271.40 g/mol. Its IUPAC name is N-[(3Z)-3-amino-3-hydroxyimino-2-methylpropyl]-N,2-diethylhexanamide.

Molecular Properties

Compound NameN-[(3Z)-3-amino-3-hydroxyimino-2-methylpropyl]-N,2-diethylhexanamide
PubChem CID54987585
Molecular FormulaC14H29N3O2
Molecular Weight271.40 g/mol
Exact Mass271.23
IUPAC NameN-[(3Z)-3-amino-3-hydroxyimino-2-methylpropyl]-N,2-diethylhexanamide
SMILESCCCCC(CC)C(=O)N(CC)CC(C)/C(N)=N/O
InChIInChI=1S/C14H29N3O2/c1-5-8-9-12(6-2)14(18)17(7-3)10-11(4)13(15)16-19/h11-12,19H,5-10H2,1-4H3,(H2,15,16)
InChIKeyNRKZXTMSZFMAES-UHFFFAOYSA-N
XLogP2.43
TPSA78.92 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.40
LogP ≤ 52.43
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': 'oxime_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-[(3Z)-3-amino-3-hydroxyimino-2-methylpropyl]-N,2-diethylhexanamide?
The IUPAC name of N-[(3Z)-3-amino-3-hydroxyimino-2-methylpropyl]-N,2-diethylhexanamide (CID 54987585) is N-[(3Z)-3-amino-3-hydroxyimino-2-methylpropyl]-N,2-diethylhexanamide.
What is the SMILES notation for N-[(3Z)-3-amino-3-hydroxyimino-2-methylpropyl]-N,2-diethylhexanamide?
The canonical SMILES for N-[(3Z)-3-amino-3-hydroxyimino-2-methylpropyl]-N,2-diethylhexanamide is CCCCC(CC)C(=O)N(CC)CC(C)/C(N)=N/O.
What is the InChIKey of N-[(3Z)-3-amino-3-hydroxyimino-2-methylpropyl]-N,2-diethylhexanamide?
The InChIKey is NRKZXTMSZFMAES-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H29N3O2/c1-5-8-9-12(6-2)14(18)17(7-3)10-11(4)13(15)16-19/h11-12,19H,5-10H2,1-4H3,(H2,15,16).
What are the key properties of N-[(3Z)-3-amino-3-hydroxyimino-2-methylpropyl]-N,2-diethylhexanamide?
N-[(3Z)-3-amino-3-hydroxyimino-2-methylpropyl]-N,2-diethylhexanamide has a molecular weight of 271.40 g/mol, XLogP of 2.43, 9 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3Z)-3-amino-3-hydroxyimino-2-methylpropyl]-N,2-diethylhexanamide is sourced from PubChem (CID 54987585), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).