N-(5-chloro-2-methoxyphenyl)-2-[methyl-[3-(2-methylphenoxy)propyl]amino]acetamide

C20H25ClN2O3 — CID 52679751

IUPACN-(5-chloro-2-methoxyphenyl)-2-[methyl-[3-(2-methylphenoxy)propyl]amino]acetamide
SMILESCOc1ccc(Cl)cc1NC(=O)CN(C)CCCOc1ccccc1C
InChIInChI=1S/C20H25ClN2O3/c1-15-7-4-5-8-18(15)26-12-6-11-23(2)14-20(24)22-17-13-16(21)9-10-19(17)25-3/h4-5,7-10,13H,6,11-12,14H2,1-3H3,(H,22,24)
InChIKeyNDRKTGFMYRNMTM-UHFFFAOYSA-N
MW376.88 g/mol
LogP4.00
Rot. Bonds9

About N-(5-chloro-2-methoxyphenyl)-2-[methyl-[3-(2-methylphenoxy)propyl]amino]acetamide

N-(5-chloro-2-methoxyphenyl)-2-[methyl-[3-(2-methylphenoxy)propyl]amino]acetamide (PubChem CID 52679751) has the molecular formula C20H25ClN2O3 and a molecular weight of 376.88 g/mol. Its IUPAC name is N-(5-chloro-2-methoxyphenyl)-2-[methyl-[3-(2-methylphenoxy)propyl]amino]acetamide.

Molecular Properties

Compound NameN-(5-chloro-2-methoxyphenyl)-2-[methyl-[3-(2-methylphenoxy)propyl]amino]acetamide
PubChem CID52679751
Molecular FormulaC20H25ClN2O3
Molecular Weight376.88 g/mol
Exact Mass376.16
IUPAC NameN-(5-chloro-2-methoxyphenyl)-2-[methyl-[3-(2-methylphenoxy)propyl]amino]acetamide
SMILESCOc1ccc(Cl)cc1NC(=O)CN(C)CCCOc1ccccc1C
InChIInChI=1S/C20H25ClN2O3/c1-15-7-4-5-8-18(15)26-12-6-11-23(2)14-20(24)22-17-13-16(21)9-10-19(17)25-3/h4-5,7-10,13H,6,11-12,14H2,1-3H3,(H,22,24)
InChIKeyNDRKTGFMYRNMTM-UHFFFAOYSA-N
XLogP4.00
TPSA50.80 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.88
LogP ≤ 54.00
H-Bond Donors ≤ 51
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-fluorophenyl)-2-[methyl-[3-(2-methylphenoxy)propyl]amino]acetamide
CID 78898101
2-[2-aminoethyl(methyl)amino]-N-(5-chloro-2-methoxyphenyl)acetamide
CID 62686650
2-[[2-(5-chloro-2-methoxyanilino)-2-oxoethyl]-methylamino]-N-(2-ethoxyphenyl)acetamide
CID 9222402
N-(5-chloro-2-methoxyphenyl)-2-[2-(4-fluorophenoxy)ethyl-methylamino]acetamide
CID 27245125
N-(5-chloro-2-methoxyphenyl)-2-[3-(4-methoxyphenyl)propyl-methylamino]acetamide
CID 60561036
2-[[2-(5-chloro-2-fluoroanilino)-2-oxoethyl]-methylamino]-N-(5-chloro-2-methoxyphenyl)acetamide
CID 9222334
N-(7-chloro-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)-2-[methyl-[3-(2-methylphenoxy)propyl]amino]acetamide
CID 52679681
N-(5-chloro-2-methoxyphenyl)-2-[(4,5-dimethoxy-2-methylphenyl)methyl-methylamino]acetamide
CID 8550831
2-[acetyl-[(2-methylphenyl)methyl]amino]-N-(5-chloro-2-methoxyphenyl)acetamide
CID 113161478
2-[[2-(5-chloro-2-methoxyanilino)-2-oxoethyl]-ethylamino]-N-(2-methoxyphenyl)acetamide
CID 9029907
N-(5-chloro-2-methoxyphenyl)-2-[methyl-[(2-methyl-3-pyridinyl)methyl]amino]acetamide
CID 75514741
N-(2-methoxy-4-nitrophenyl)-2-[methyl-[2-(2-methylphenoxy)ethyl]amino]acetamide
CID 26424871

Frequently Asked Questions

What is the IUPAC name of N-(5-chloro-2-methoxyphenyl)-2-[methyl-[3-(2-methylphenoxy)propyl]amino]acetamide?
The IUPAC name of N-(5-chloro-2-methoxyphenyl)-2-[methyl-[3-(2-methylphenoxy)propyl]amino]acetamide (CID 52679751) is N-(5-chloro-2-methoxyphenyl)-2-[methyl-[3-(2-methylphenoxy)propyl]amino]acetamide.
What is the SMILES notation for N-(5-chloro-2-methoxyphenyl)-2-[methyl-[3-(2-methylphenoxy)propyl]amino]acetamide?
The canonical SMILES for N-(5-chloro-2-methoxyphenyl)-2-[methyl-[3-(2-methylphenoxy)propyl]amino]acetamide is COc1ccc(Cl)cc1NC(=O)CN(C)CCCOc1ccccc1C.
What is the InChIKey of N-(5-chloro-2-methoxyphenyl)-2-[methyl-[3-(2-methylphenoxy)propyl]amino]acetamide?
The InChIKey is NDRKTGFMYRNMTM-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25ClN2O3/c1-15-7-4-5-8-18(15)26-12-6-11-23(2)14-20(24)22-17-13-16(21)9-10-19(17)25-3/h4-5,7-10,13H,6,11-12,14H2,1-3H3,(H,22,24).
What are the key properties of N-(5-chloro-2-methoxyphenyl)-2-[methyl-[3-(2-methylphenoxy)propyl]amino]acetamide?
N-(5-chloro-2-methoxyphenyl)-2-[methyl-[3-(2-methylphenoxy)propyl]amino]acetamide has a molecular weight of 376.88 g/mol, XLogP of 4.00, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-chloro-2-methoxyphenyl)-2-[methyl-[3-(2-methylphenoxy)propyl]amino]acetamide is sourced from PubChem (CID 52679751), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).