N-(2-chloro-4,6-dimethylphenyl)-3-[(3,4-dimethoxyphenyl)methylamino]propanamide

C20H25ClN2O3 — CID 109028281

IUPACN-(2-chloro-4,6-dimethylphenyl)-3-[(3,4-dimethoxyphenyl)methylamino]propanamide
SMILESCOc1ccc(CNCCC(=O)Nc2c(C)cc(C)cc2Cl)cc1OC
InChIInChI=1S/C20H25ClN2O3/c1-13-9-14(2)20(16(21)10-13)23-19(24)7-8-22-12-15-5-6-17(25-3)18(11-15)26-4/h5-6,9-11,22H,7-8,12H2,1-4H3,(H,23,24)
InChIKeyYSIXFCRQTTVVRR-UHFFFAOYSA-N
MW376.88 g/mol
LogP4.09
Rot. Bonds8

About N-(2-chloro-4,6-dimethylphenyl)-3-[(3,4-dimethoxyphenyl)methylamino]propanamide

N-(2-chloro-4,6-dimethylphenyl)-3-[(3,4-dimethoxyphenyl)methylamino]propanamide (PubChem CID 109028281) has the molecular formula C20H25ClN2O3 and a molecular weight of 376.88 g/mol. Its IUPAC name is N-(2-chloro-4,6-dimethylphenyl)-3-[(3,4-dimethoxyphenyl)methylamino]propanamide.

Molecular Properties

Compound NameN-(2-chloro-4,6-dimethylphenyl)-3-[(3,4-dimethoxyphenyl)methylamino]propanamide
PubChem CID109028281
Molecular FormulaC20H25ClN2O3
Molecular Weight376.88 g/mol
Exact Mass376.16
IUPAC NameN-(2-chloro-4,6-dimethylphenyl)-3-[(3,4-dimethoxyphenyl)methylamino]propanamide
SMILESCOc1ccc(CNCCC(=O)Nc2c(C)cc(C)cc2Cl)cc1OC
InChIInChI=1S/C20H25ClN2O3/c1-13-9-14(2)20(16(21)10-13)23-19(24)7-8-22-12-15-5-6-17(25-3)18(11-15)26-4/h5-6,9-11,22H,7-8,12H2,1-4H3,(H,23,24)
InChIKeyYSIXFCRQTTVVRR-UHFFFAOYSA-N
XLogP4.09
TPSA59.59 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.88
LogP ≤ 54.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-(2-chloro-4,6-dimethylphenyl)-2-[(3,4-dimethoxyphenyl)methylamino]acetamide
CID 109003093
N-(2-chloro-4,6-dimethylphenyl)-3-(4-ethoxy-3-methoxyphenyl)propanamide
CID 19221853
N-(2-chloro-4,6-dimethylphenyl)-3-[2-(2-methoxyphenyl)ethylamino]propanamide
CID 109025421
3-[(3,4-dimethoxyphenyl)methylamino]-N-(2-methylphenyl)propanamide
CID 109028248
N-[(2-chlorophenyl)methyl]-3-[(3,4-dimethoxyphenyl)methylamino]propanamide
CID 109021346
N-(2-chloro-4,6-dimethylphenyl)-3-[2-(4-fluorophenyl)ethylamino]propanamide
CID 109025156
3-[(3,4-dimethoxyphenyl)methylamino]-N-propylpropanamide
CID 61061288
N-(2-chloro-4,6-dimethylphenyl)-2-[(4-chlorophenyl)methylamino]acetamide
CID 108998149
N-[(3,4-dimethoxyphenyl)methyl]-3-[(4-methoxyphenyl)methylamino]propanamide
CID 109022434
N-(2-chloro-4,6-dimethylphenyl)-3-(4-methylanilino)propanamide
CID 109034461
[2-(2-chloro-4,6-dimethylanilino)-2-oxoethyl] 2-(2-methoxy-4-prop-2-enylphenoxy)acetate
CID 7804080
N-butan-2-yl-3-[(3,4-dimethoxyphenyl)methylamino]propanamide
CID 60956837

Frequently Asked Questions

What is the IUPAC name of N-(2-chloro-4,6-dimethylphenyl)-3-[(3,4-dimethoxyphenyl)methylamino]propanamide?
The IUPAC name of N-(2-chloro-4,6-dimethylphenyl)-3-[(3,4-dimethoxyphenyl)methylamino]propanamide (CID 109028281) is N-(2-chloro-4,6-dimethylphenyl)-3-[(3,4-dimethoxyphenyl)methylamino]propanamide.
What is the SMILES notation for N-(2-chloro-4,6-dimethylphenyl)-3-[(3,4-dimethoxyphenyl)methylamino]propanamide?
The canonical SMILES for N-(2-chloro-4,6-dimethylphenyl)-3-[(3,4-dimethoxyphenyl)methylamino]propanamide is COc1ccc(CNCCC(=O)Nc2c(C)cc(C)cc2Cl)cc1OC.
What is the InChIKey of N-(2-chloro-4,6-dimethylphenyl)-3-[(3,4-dimethoxyphenyl)methylamino]propanamide?
The InChIKey is YSIXFCRQTTVVRR-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25ClN2O3/c1-13-9-14(2)20(16(21)10-13)23-19(24)7-8-22-12-15-5-6-17(25-3)18(11-15)26-4/h5-6,9-11,22H,7-8,12H2,1-4H3,(H,23,24).
What are the key properties of N-(2-chloro-4,6-dimethylphenyl)-3-[(3,4-dimethoxyphenyl)methylamino]propanamide?
N-(2-chloro-4,6-dimethylphenyl)-3-[(3,4-dimethoxyphenyl)methylamino]propanamide has a molecular weight of 376.88 g/mol, XLogP of 4.09, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-chloro-4,6-dimethylphenyl)-3-[(3,4-dimethoxyphenyl)methylamino]propanamide is sourced from PubChem (CID 109028281), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).