N-[3-(diethylaminomethyl)phenyl]-3,4-dimethoxybenzamide

C20H26N2O3 — CID 43073865

IUPACN-[3-(diethylaminomethyl)phenyl]-3,4-dimethoxybenzamide
SMILESCCN(CC)Cc1cccc(NC(=O)c2ccc(OC)c(OC)c2)c1
InChIInChI=1S/C20H26N2O3/c1-5-22(6-2)14-15-8-7-9-17(12-15)21-20(23)16-10-11-18(24-3)19(13-16)25-4/h7-13H,5-6,14H2,1-4H3,(H,21,23)
InChIKeyMDIPMGHYFJVBGG-UHFFFAOYSA-N
MW342.44 g/mol
LogP3.80
Rot. Bonds8

About N-[3-(diethylaminomethyl)phenyl]-3,4-dimethoxybenzamide

N-[3-(diethylaminomethyl)phenyl]-3,4-dimethoxybenzamide (PubChem CID 43073865) has the molecular formula C20H26N2O3 and a molecular weight of 342.44 g/mol. Its IUPAC name is N-[3-(diethylaminomethyl)phenyl]-3,4-dimethoxybenzamide.

Molecular Properties

Compound NameN-[3-(diethylaminomethyl)phenyl]-3,4-dimethoxybenzamide
PubChem CID43073865
Molecular FormulaC20H26N2O3
Molecular Weight342.44 g/mol
Exact Mass342.19
IUPAC NameN-[3-(diethylaminomethyl)phenyl]-3,4-dimethoxybenzamide
SMILESCCN(CC)Cc1cccc(NC(=O)c2ccc(OC)c(OC)c2)c1
InChIInChI=1S/C20H26N2O3/c1-5-22(6-2)14-15-8-7-9-17(12-15)21-20(23)16-10-11-18(24-3)19(13-16)25-4/h7-13H,5-6,14H2,1-4H3,(H,21,23)
InChIKeyMDIPMGHYFJVBGG-UHFFFAOYSA-N
XLogP3.80
TPSA50.80 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.44
LogP ≤ 53.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[2-(3-ethylanilino)-2-oxoethyl]-3,4-dimethoxybenzamide
CID 27256468
N-(3-acetamidophenyl)-4-ethoxy-3-methoxybenzamide
CID 26103493
N-[3-(hydroxymethyl)phenyl]-4-methoxy-3-tetradecoxybenzamide
CID 10050364
N-[3-(diethylaminomethyl)phenyl]-5-iodothiophene-3-carboxamide
CID 78949828
N-[3-[[3-aminopropyl-(3,5-difluorobenzoyl)amino]methyl]phenyl]-3,4-dimethoxybenzamide
CID 23995243
N-[3-[(dimethylamino)methyl]phenyl]-3-methoxy-4-(1,3-thiazol-4-ylmethoxy)benzamide
CID 86932113
3-methoxy-N-phenyl-4-phenylmethoxybenzamide
CID 5161412
N-[3-(diethylaminomethyl)phenyl]-3-(3,4,5-trimethoxyphenyl)propanamide
CID 55602062
N-[3-(aminomethyl)phenyl]-3-hydroxy-4-methoxybenzamide
CID 79725587
3-[(4-ethoxy-3-methoxybenzoyl)amino]benzoic acid
CID 45426053
N-[4-(aminomethyl)phenyl]-3,4-dimethoxybenzamide
CID 16793219
N-[4-[benzyl(methyl)amino]phenyl]-3,4-dimethoxybenzamide
CID 112982300

Frequently Asked Questions

What is the IUPAC name of N-[3-(diethylaminomethyl)phenyl]-3,4-dimethoxybenzamide?
The IUPAC name of N-[3-(diethylaminomethyl)phenyl]-3,4-dimethoxybenzamide (CID 43073865) is N-[3-(diethylaminomethyl)phenyl]-3,4-dimethoxybenzamide.
What is the SMILES notation for N-[3-(diethylaminomethyl)phenyl]-3,4-dimethoxybenzamide?
The canonical SMILES for N-[3-(diethylaminomethyl)phenyl]-3,4-dimethoxybenzamide is CCN(CC)Cc1cccc(NC(=O)c2ccc(OC)c(OC)c2)c1.
What is the InChIKey of N-[3-(diethylaminomethyl)phenyl]-3,4-dimethoxybenzamide?
The InChIKey is MDIPMGHYFJVBGG-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26N2O3/c1-5-22(6-2)14-15-8-7-9-17(12-15)21-20(23)16-10-11-18(24-3)19(13-16)25-4/h7-13H,5-6,14H2,1-4H3,(H,21,23).
What are the key properties of N-[3-(diethylaminomethyl)phenyl]-3,4-dimethoxybenzamide?
N-[3-(diethylaminomethyl)phenyl]-3,4-dimethoxybenzamide has a molecular weight of 342.44 g/mol, XLogP of 3.80, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(diethylaminomethyl)phenyl]-3,4-dimethoxybenzamide is sourced from PubChem (CID 43073865), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).