N,N-diethyl-2-formyl-4-phenylmethoxybenzamide

C19H21NO3 — CID 82544299

IUPACN,N-diethyl-2-formyl-4-phenylmethoxybenzamide
SMILESCCN(CC)C(=O)c1ccc(OCc2ccccc2)cc1C=O
InChIInChI=1S/C19H21NO3/c1-3-20(4-2)19(22)18-11-10-17(12-16(18)13-21)23-14-15-8-6-5-7-9-15/h5-13H,3-4,14H2,1-2H3
InChIKeyJINLVZMLJCQPCE-UHFFFAOYSA-N
MW311.38 g/mol
LogP3.56
Rot. Bonds7

About N,N-diethyl-2-formyl-4-phenylmethoxybenzamide

N,N-diethyl-2-formyl-4-phenylmethoxybenzamide (PubChem CID 82544299) has the molecular formula C19H21NO3 and a molecular weight of 311.38 g/mol. Its IUPAC name is N,N-diethyl-2-formyl-4-phenylmethoxybenzamide.

Molecular Properties

Compound NameN,N-diethyl-2-formyl-4-phenylmethoxybenzamide
PubChem CID82544299
Molecular FormulaC19H21NO3
Molecular Weight311.38 g/mol
Exact Mass311.15
IUPAC NameN,N-diethyl-2-formyl-4-phenylmethoxybenzamide
SMILESCCN(CC)C(=O)c1ccc(OCc2ccccc2)cc1C=O
InChIInChI=1S/C19H21NO3/c1-3-20(4-2)19(22)18-11-10-17(12-16(18)13-21)23-14-15-8-6-5-7-9-15/h5-13H,3-4,14H2,1-2H3
InChIKeyJINLVZMLJCQPCE-UHFFFAOYSA-N
XLogP3.56
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.38
LogP ≤ 53.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

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Related Compounds

2-bromo-N,N-diethyl-5-phenylmethoxybenzamide
CID 156880220
N,N-diethyl-4-phenylmethoxybenzamide
CID 4958372
2-(2-formyl-4-phenylmethoxyphenoxy)ethyl acetate
CID 150506758
N,N-diethyl-2-formyl-4-methoxy-3-phenylmethoxybenzamide
CID 18504788
benzyl 2-(3-formyl-4-propanoylphenoxy)acetate
CID 58701886
ethane;4-phenylmethoxyphthalic acid
CID 90802135
5-chloro-N,N-diethyl-2-phenylmethoxybenzamide
CID 8799985
N,N-diethyl-2-(2-fluoro-4-phenylmethoxyphenyl)-1,3-thiazole-4-carboxamide
CID 46066895
2-bromo-4-phenylmethoxybenzaldehyde
CID 11173819
2-carboxy-5-phenylmethoxyphenolate
CID 86309199
2-N,2-N-dimethyl-4-phenylmethoxybenzene-1,2-dicarboxamide
CID 69299072
N,N-diethyl-2-(phenoxymethyl)benzamide
CID 78777252

Frequently Asked Questions

What is the IUPAC name of N,N-diethyl-2-formyl-4-phenylmethoxybenzamide?
The IUPAC name of N,N-diethyl-2-formyl-4-phenylmethoxybenzamide (CID 82544299) is N,N-diethyl-2-formyl-4-phenylmethoxybenzamide.
What is the SMILES notation for N,N-diethyl-2-formyl-4-phenylmethoxybenzamide?
The canonical SMILES for N,N-diethyl-2-formyl-4-phenylmethoxybenzamide is CCN(CC)C(=O)c1ccc(OCc2ccccc2)cc1C=O.
What is the InChIKey of N,N-diethyl-2-formyl-4-phenylmethoxybenzamide?
The InChIKey is JINLVZMLJCQPCE-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21NO3/c1-3-20(4-2)19(22)18-11-10-17(12-16(18)13-21)23-14-15-8-6-5-7-9-15/h5-13H,3-4,14H2,1-2H3.
What are the key properties of N,N-diethyl-2-formyl-4-phenylmethoxybenzamide?
N,N-diethyl-2-formyl-4-phenylmethoxybenzamide has a molecular weight of 311.38 g/mol, XLogP of 3.56, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-diethyl-2-formyl-4-phenylmethoxybenzamide is sourced from PubChem (CID 82544299), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).