N-(2-chloro-4,6-dimethylphenyl)-3-[2-(2-methoxyphenyl)ethylamino]propanamide

C20H25ClN2O2 — CID 109025421

IUPACN-(2-chloro-4,6-dimethylphenyl)-3-[2-(2-methoxyphenyl)ethylamino]propanamide
SMILESCOc1ccccc1CCNCCC(=O)Nc1c(C)cc(C)cc1Cl
InChIInChI=1S/C20H25ClN2O2/c1-14-12-15(2)20(17(21)13-14)23-19(24)9-11-22-10-8-16-6-4-5-7-18(16)25-3/h4-7,12-13,22H,8-11H2,1-3H3,(H,23,24)
InChIKeyQRILWNYNQPTVMB-UHFFFAOYSA-N
MW360.89 g/mol
LogP4.13
Rot. Bonds8

About N-(2-chloro-4,6-dimethylphenyl)-3-[2-(2-methoxyphenyl)ethylamino]propanamide

N-(2-chloro-4,6-dimethylphenyl)-3-[2-(2-methoxyphenyl)ethylamino]propanamide (PubChem CID 109025421) has the molecular formula C20H25ClN2O2 and a molecular weight of 360.89 g/mol. Its IUPAC name is N-(2-chloro-4,6-dimethylphenyl)-3-[2-(2-methoxyphenyl)ethylamino]propanamide.

Molecular Properties

Compound NameN-(2-chloro-4,6-dimethylphenyl)-3-[2-(2-methoxyphenyl)ethylamino]propanamide
PubChem CID109025421
Molecular FormulaC20H25ClN2O2
Molecular Weight360.89 g/mol
Exact Mass360.16
IUPAC NameN-(2-chloro-4,6-dimethylphenyl)-3-[2-(2-methoxyphenyl)ethylamino]propanamide
SMILESCOc1ccccc1CCNCCC(=O)Nc1c(C)cc(C)cc1Cl
InChIInChI=1S/C20H25ClN2O2/c1-14-12-15(2)20(17(21)13-14)23-19(24)9-11-22-10-8-16-6-4-5-7-18(16)25-3/h4-7,12-13,22H,8-11H2,1-3H3,(H,23,24)
InChIKeyQRILWNYNQPTVMB-UHFFFAOYSA-N
XLogP4.13
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.89
LogP ≤ 54.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

3-(2-chloro-4,6-dimethylanilino)-N-[2-(2-methoxyphenyl)ethyl]propanamide
CID 109025293
N-(4-chloro-2-methoxy-5-methylphenyl)-3-[2-(2-methoxyphenyl)ethylamino]propanamide
CID 109025476
N-(2,4-dimethylphenyl)-3-[2-(2-methoxyphenyl)ethylamino]propanamide
CID 109025394
N-(3,4-dimethylphenyl)-3-[2-(2-methoxyphenyl)ethylamino]propanamide
CID 109025396
N'-(2-chloro-4,6-dimethylphenyl)-N-[(2-methoxyphenyl)methyl]propanediamide
CID 108946925
2-[acetyl-[2-(2-methoxyphenyl)ethyl]amino]-N-(2-chloro-4,6-dimethylphenyl)acetamide
CID 113164583
N-(2-chloro-4,6-dimethylphenyl)-3-[2-(4-fluorophenyl)ethylamino]propanamide
CID 109025156
N-(2-chloro-4,6-dimethylphenyl)-3-[(3,4-dimethoxyphenyl)methylamino]propanamide
CID 109028281
N-(3-bromophenyl)-3-[2-(2-methoxyphenyl)ethylamino]propanamide
CID 109025458
methyl 2-[2-(2-chloro-4,6-dimethylanilino)-2-oxoethoxy]benzoate
CID 7764012
1-(2-chloro-4,6-dimethylphenyl)-3-[2-(2-chlorophenyl)ethyl]urea
CID 108900379
N-(2-chloro-4,6-dimethylphenyl)-3-(4-ethoxy-3-methoxyphenyl)propanamide
CID 19221853

Frequently Asked Questions

What is the IUPAC name of N-(2-chloro-4,6-dimethylphenyl)-3-[2-(2-methoxyphenyl)ethylamino]propanamide?
The IUPAC name of N-(2-chloro-4,6-dimethylphenyl)-3-[2-(2-methoxyphenyl)ethylamino]propanamide (CID 109025421) is N-(2-chloro-4,6-dimethylphenyl)-3-[2-(2-methoxyphenyl)ethylamino]propanamide.
What is the SMILES notation for N-(2-chloro-4,6-dimethylphenyl)-3-[2-(2-methoxyphenyl)ethylamino]propanamide?
The canonical SMILES for N-(2-chloro-4,6-dimethylphenyl)-3-[2-(2-methoxyphenyl)ethylamino]propanamide is COc1ccccc1CCNCCC(=O)Nc1c(C)cc(C)cc1Cl.
What is the InChIKey of N-(2-chloro-4,6-dimethylphenyl)-3-[2-(2-methoxyphenyl)ethylamino]propanamide?
The InChIKey is QRILWNYNQPTVMB-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25ClN2O2/c1-14-12-15(2)20(17(21)13-14)23-19(24)9-11-22-10-8-16-6-4-5-7-18(16)25-3/h4-7,12-13,22H,8-11H2,1-3H3,(H,23,24).
What are the key properties of N-(2-chloro-4,6-dimethylphenyl)-3-[2-(2-methoxyphenyl)ethylamino]propanamide?
N-(2-chloro-4,6-dimethylphenyl)-3-[2-(2-methoxyphenyl)ethylamino]propanamide has a molecular weight of 360.89 g/mol, XLogP of 4.13, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-chloro-4,6-dimethylphenyl)-3-[2-(2-methoxyphenyl)ethylamino]propanamide is sourced from PubChem (CID 109025421), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).