N,N-diethyl-2-formyl-4-methoxy-3-phenylmethoxybenzamide

C20H23NO4 — CID 18504788

IUPACN,N-diethyl-2-formyl-4-methoxy-3-phenylmethoxybenzamide
SMILESCCN(CC)C(=O)c1ccc(OC)c(OCc2ccccc2)c1C=O
InChIInChI=1S/C20H23NO4/c1-4-21(5-2)20(23)16-11-12-18(24-3)19(17(16)13-22)25-14-15-9-7-6-8-10-15/h6-13H,4-5,14H2,1-3H3
InChIKeyRKWRJIXPIPJPQS-UHFFFAOYSA-N
MW341.41 g/mol
LogP3.57
Rot. Bonds8

About N,N-diethyl-2-formyl-4-methoxy-3-phenylmethoxybenzamide

N,N-diethyl-2-formyl-4-methoxy-3-phenylmethoxybenzamide (PubChem CID 18504788) has the molecular formula C20H23NO4 and a molecular weight of 341.41 g/mol. Its IUPAC name is N,N-diethyl-2-formyl-4-methoxy-3-phenylmethoxybenzamide.

Molecular Properties

Compound NameN,N-diethyl-2-formyl-4-methoxy-3-phenylmethoxybenzamide
PubChem CID18504788
Molecular FormulaC20H23NO4
Molecular Weight341.41 g/mol
Exact Mass341.16
IUPAC NameN,N-diethyl-2-formyl-4-methoxy-3-phenylmethoxybenzamide
SMILESCCN(CC)C(=O)c1ccc(OC)c(OCc2ccccc2)c1C=O
InChIInChI=1S/C20H23NO4/c1-4-21(5-2)20(23)16-11-12-18(24-3)19(17(16)13-22)25-14-15-9-7-6-8-10-15/h6-13H,4-5,14H2,1-3H3
InChIKeyRKWRJIXPIPJPQS-UHFFFAOYSA-N
XLogP3.57
TPSA55.84 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.41
LogP ≤ 53.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N,N-diethyl-2-formyl-4-phenylmethoxybenzamide
CID 82544299
4-methoxy-2-methyl-3-phenylmethoxybenzoic acid
CID 141015234
5-chloro-N,N-diethyl-2-phenylmethoxybenzamide
CID 8799985
3-acetyl-4,6-bis(methoxymethoxy)-2-phenylmethoxybenzaldehyde
CID 146193205
N-[(4-ethoxy-3-methoxyphenyl)methyl]-N-ethyl-3,5-dimethoxy-4-phenylmethoxybenzamide
CID 24548570
(E)-1-(3,4-dimethoxy-2-phenylmethoxyphenyl)-3-(dimethylamino)prop-2-en-1-one
CID 59999680
3,4,6-trimethoxy-2-phenylmethoxybenzaldehyde
CID 57327464
N,N-diethyl-6-formyl-2-(methoxymethoxy)-4-phenylmethoxy-3-[(E)-prop-1-enyl]benzamide
CID 71660685
1-(2-ethynyl-4-methoxy-3-phenylmethoxyphenyl)but-3-en-1-one
CID 134958253
2-methoxy-4,6-bis(phenylmethoxy)benzaldehyde
CID 10980954
N-[3-(diethylcarbamoyl)phenyl]-3,5-dimethoxy-4-phenylmethoxybenzamide
CID 27446104
potassium;3-methoxy-2-phenylmethoxybenzaldehyde;hydroxide
CID 160863194

Frequently Asked Questions

What is the IUPAC name of N,N-diethyl-2-formyl-4-methoxy-3-phenylmethoxybenzamide?
The IUPAC name of N,N-diethyl-2-formyl-4-methoxy-3-phenylmethoxybenzamide (CID 18504788) is N,N-diethyl-2-formyl-4-methoxy-3-phenylmethoxybenzamide.
What is the SMILES notation for N,N-diethyl-2-formyl-4-methoxy-3-phenylmethoxybenzamide?
The canonical SMILES for N,N-diethyl-2-formyl-4-methoxy-3-phenylmethoxybenzamide is CCN(CC)C(=O)c1ccc(OC)c(OCc2ccccc2)c1C=O.
What is the InChIKey of N,N-diethyl-2-formyl-4-methoxy-3-phenylmethoxybenzamide?
The InChIKey is RKWRJIXPIPJPQS-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23NO4/c1-4-21(5-2)20(23)16-11-12-18(24-3)19(17(16)13-22)25-14-15-9-7-6-8-10-15/h6-13H,4-5,14H2,1-3H3.
What are the key properties of N,N-diethyl-2-formyl-4-methoxy-3-phenylmethoxybenzamide?
N,N-diethyl-2-formyl-4-methoxy-3-phenylmethoxybenzamide has a molecular weight of 341.41 g/mol, XLogP of 3.57, 8 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-diethyl-2-formyl-4-methoxy-3-phenylmethoxybenzamide is sourced from PubChem (CID 18504788), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).