N'-methoxy-N'-methyl-N-phenyloctanediamide

C16H24N2O3 — CID 71376590

IUPACN'-methoxy-N'-methyl-N-phenyloctanediamide
SMILESCON(C)C(=O)CCCCCCC(=O)Nc1ccccc1
InChIInChI=1S/C16H24N2O3/c1-18(21-2)16(20)13-9-4-3-8-12-15(19)17-14-10-6-5-7-11-14/h5-7,10-11H,3-4,8-9,12-13H2,1-2H3,(H,17,19)
InChIKeyWAUYUNVIUOUMFQ-UHFFFAOYSA-N
MW292.38 g/mol
LogP2.99
Rot. Bonds9

About N'-methoxy-N'-methyl-N-phenyloctanediamide

N'-methoxy-N'-methyl-N-phenyloctanediamide (PubChem CID 71376590) has the molecular formula C16H24N2O3 and a molecular weight of 292.38 g/mol. Its IUPAC name is N'-methoxy-N'-methyl-N-phenyloctanediamide.

Molecular Properties

Compound NameN'-methoxy-N'-methyl-N-phenyloctanediamide
PubChem CID71376590
Molecular FormulaC16H24N2O3
Molecular Weight292.38 g/mol
Exact Mass292.18
IUPAC NameN'-methoxy-N'-methyl-N-phenyloctanediamide
SMILESCON(C)C(=O)CCCCCCC(=O)Nc1ccccc1
InChIInChI=1S/C16H24N2O3/c1-18(21-2)16(20)13-9-4-3-8-12-15(19)17-14-10-6-5-7-11-14/h5-7,10-11H,3-4,8-9,12-13H2,1-2H3,(H,17,19)
InChIKeyWAUYUNVIUOUMFQ-UHFFFAOYSA-N
XLogP2.99
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.38
LogP ≤ 52.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N-phenylpentacosanamide
CID 19025260
N-phenylheptatetracontanamide
CID 150503307
11-anilino-11-oxoundecanoic acid
CID 150341840
44-anilino-44-oxotetratetracontanoic acid
CID 152661091
(6-anilino-6-oxohexyl) acetate
CID 154158064
7-bromo-N-phenylheptanamide
CID 11266084
N-phenyl-10-sulfanyldecanamide
CID 89127946
N-phenyl-9-sulfanylnonanamide
CID 89127947
methyl (2S)-2-amino-8-anilino-8-oxooctanoate
CID 140522096
4-ethoxy-N-phenylbutanamide
CID 112728021
7,7-dimethyl-N-phenyloctanamide
CID 68837139
8-oxo-N-phenyloctanamide
CID 15739209

Frequently Asked Questions

What is the IUPAC name of N'-methoxy-N'-methyl-N-phenyloctanediamide?
The IUPAC name of N'-methoxy-N'-methyl-N-phenyloctanediamide (CID 71376590) is N'-methoxy-N'-methyl-N-phenyloctanediamide.
What is the SMILES notation for N'-methoxy-N'-methyl-N-phenyloctanediamide?
The canonical SMILES for N'-methoxy-N'-methyl-N-phenyloctanediamide is CON(C)C(=O)CCCCCCC(=O)Nc1ccccc1.
What is the InChIKey of N'-methoxy-N'-methyl-N-phenyloctanediamide?
The InChIKey is WAUYUNVIUOUMFQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N2O3/c1-18(21-2)16(20)13-9-4-3-8-12-15(19)17-14-10-6-5-7-11-14/h5-7,10-11H,3-4,8-9,12-13H2,1-2H3,(H,17,19).
What are the key properties of N'-methoxy-N'-methyl-N-phenyloctanediamide?
N'-methoxy-N'-methyl-N-phenyloctanediamide has a molecular weight of 292.38 g/mol, XLogP of 2.99, 9 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-methoxy-N'-methyl-N-phenyloctanediamide is sourced from PubChem (CID 71376590), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).