N-ethyl-2-formyl-N-(1-methoxy-2,2-dimethylpropyl)benzamide

C16H23NO3 — CID 10683939

IUPACN-ethyl-2-formyl-N-(1-methoxy-2,2-dimethylpropyl)benzamide
SMILESCCN(C(=O)c1ccccc1C=O)C(OC)C(C)(C)C
InChIInChI=1S/C16H23NO3/c1-6-17(15(20-5)16(2,3)4)14(19)13-10-8-7-9-12(13)11-18/h7-11,15H,6H2,1-5H3
InChIKeyWPFHOZMPZQSVLY-UHFFFAOYSA-N
MW277.36 g/mol
LogP2.98
Rot. Bonds5

About N-ethyl-2-formyl-N-(1-methoxy-2,2-dimethylpropyl)benzamide

N-ethyl-2-formyl-N-(1-methoxy-2,2-dimethylpropyl)benzamide (PubChem CID 10683939) has the molecular formula C16H23NO3 and a molecular weight of 277.36 g/mol. Its IUPAC name is N-ethyl-2-formyl-N-(1-methoxy-2,2-dimethylpropyl)benzamide.

Molecular Properties

Compound NameN-ethyl-2-formyl-N-(1-methoxy-2,2-dimethylpropyl)benzamide
PubChem CID10683939
Molecular FormulaC16H23NO3
Molecular Weight277.36 g/mol
Exact Mass277.17
IUPAC NameN-ethyl-2-formyl-N-(1-methoxy-2,2-dimethylpropyl)benzamide
SMILESCCN(C(=O)c1ccccc1C=O)C(OC)C(C)(C)C
InChIInChI=1S/C16H23NO3/c1-6-17(15(20-5)16(2,3)4)14(19)13-10-8-7-9-12(13)11-18/h7-11,15H,6H2,1-5H3
InChIKeyWPFHOZMPZQSVLY-UHFFFAOYSA-N
XLogP2.98
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.36
LogP ≤ 52.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-ethyl-2-formyl-N-(1-methoxy-2,2-dimethylpropyl)benzamide?
The IUPAC name of N-ethyl-2-formyl-N-(1-methoxy-2,2-dimethylpropyl)benzamide (CID 10683939) is N-ethyl-2-formyl-N-(1-methoxy-2,2-dimethylpropyl)benzamide.
What is the SMILES notation for N-ethyl-2-formyl-N-(1-methoxy-2,2-dimethylpropyl)benzamide?
The canonical SMILES for N-ethyl-2-formyl-N-(1-methoxy-2,2-dimethylpropyl)benzamide is CCN(C(=O)c1ccccc1C=O)C(OC)C(C)(C)C.
What is the InChIKey of N-ethyl-2-formyl-N-(1-methoxy-2,2-dimethylpropyl)benzamide?
The InChIKey is WPFHOZMPZQSVLY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23NO3/c1-6-17(15(20-5)16(2,3)4)14(19)13-10-8-7-9-12(13)11-18/h7-11,15H,6H2,1-5H3.
What are the key properties of N-ethyl-2-formyl-N-(1-methoxy-2,2-dimethylpropyl)benzamide?
N-ethyl-2-formyl-N-(1-methoxy-2,2-dimethylpropyl)benzamide has a molecular weight of 277.36 g/mol, XLogP of 2.98, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-2-formyl-N-(1-methoxy-2,2-dimethylpropyl)benzamide is sourced from PubChem (CID 10683939), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).