N-[(2R)-1-(2,5-dimethoxyphenyl)butan-2-yl]-2-formylbenzamide

C20H23NO4 — CID 88813684

IUPACN-[(2R)-1-(2,5-dimethoxyphenyl)butan-2-yl]-2-formylbenzamide
SMILESCC[C@H](Cc1cc(OC)ccc1OC)NC(=O)c1ccccc1C=O
InChIInChI=1S/C20H23NO4/c1-4-16(11-15-12-17(24-2)9-10-19(15)25-3)21-20(23)18-8-6-5-7-14(18)13-22/h5-10,12-13,16H,4,11H2,1-3H3,(H,21,23)/t16-/m1/s1
InChIKeyHAMFGANBQABZGC-MRXNPFEDSA-N
MW341.41 g/mol
LogP3.27
Rot. Bonds8

About N-[(2R)-1-(2,5-dimethoxyphenyl)butan-2-yl]-2-formylbenzamide

N-[(2R)-1-(2,5-dimethoxyphenyl)butan-2-yl]-2-formylbenzamide (PubChem CID 88813684) has the molecular formula C20H23NO4 and a molecular weight of 341.41 g/mol. Its IUPAC name is N-[(2R)-1-(2,5-dimethoxyphenyl)butan-2-yl]-2-formylbenzamide.

Molecular Properties

Compound NameN-[(2R)-1-(2,5-dimethoxyphenyl)butan-2-yl]-2-formylbenzamide
PubChem CID88813684
Molecular FormulaC20H23NO4
Molecular Weight341.41 g/mol
Exact Mass341.16
IUPAC NameN-[(2R)-1-(2,5-dimethoxyphenyl)butan-2-yl]-2-formylbenzamide
SMILESCC[C@H](Cc1cc(OC)ccc1OC)NC(=O)c1ccccc1C=O
InChIInChI=1S/C20H23NO4/c1-4-16(11-15-12-17(24-2)9-10-19(15)25-3)21-20(23)18-8-6-5-7-14(18)13-22/h5-10,12-13,16H,4,11H2,1-3H3,(H,21,23)/t16-/m1/s1
InChIKeyHAMFGANBQABZGC-MRXNPFEDSA-N
XLogP3.27
TPSA64.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.41
LogP ≤ 53.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-[(2R)-1-(2,5-dimethoxyphenyl)butan-2-yl]-2-formylbenzamide?
The IUPAC name of N-[(2R)-1-(2,5-dimethoxyphenyl)butan-2-yl]-2-formylbenzamide (CID 88813684) is N-[(2R)-1-(2,5-dimethoxyphenyl)butan-2-yl]-2-formylbenzamide.
What is the SMILES notation for N-[(2R)-1-(2,5-dimethoxyphenyl)butan-2-yl]-2-formylbenzamide?
The canonical SMILES for N-[(2R)-1-(2,5-dimethoxyphenyl)butan-2-yl]-2-formylbenzamide is CC[C@H](Cc1cc(OC)ccc1OC)NC(=O)c1ccccc1C=O.
What is the InChIKey of N-[(2R)-1-(2,5-dimethoxyphenyl)butan-2-yl]-2-formylbenzamide?
The InChIKey is HAMFGANBQABZGC-MRXNPFEDSA-N. The full InChI is InChI=1S/C20H23NO4/c1-4-16(11-15-12-17(24-2)9-10-19(15)25-3)21-20(23)18-8-6-5-7-14(18)13-22/h5-10,12-13,16H,4,11H2,1-3H3,(H,21,23)/t16-/m1/s1.
What are the key properties of N-[(2R)-1-(2,5-dimethoxyphenyl)butan-2-yl]-2-formylbenzamide?
N-[(2R)-1-(2,5-dimethoxyphenyl)butan-2-yl]-2-formylbenzamide has a molecular weight of 341.41 g/mol, XLogP of 3.27, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2R)-1-(2,5-dimethoxyphenyl)butan-2-yl]-2-formylbenzamide is sourced from PubChem (CID 88813684), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).