N-(3-chloro-4-methoxyphenyl)-2-[ethyl-[2-(ethylamino)-2-oxoethyl]amino]-2-phenylacetamide

C21H26ClN3O3 — CID 85008705

IUPACN-(3-chloro-4-methoxyphenyl)-2-[ethyl-[2-(ethylamino)-2-oxoethyl]amino]-2-phenylacetamide
SMILESCCNC(=O)CN(CC)C(C(=O)Nc1ccc(OC)c(Cl)c1)c1ccccc1
InChIInChI=1S/C21H26ClN3O3/c1-4-23-19(26)14-25(5-2)20(15-9-7-6-8-10-15)21(27)24-16-11-12-18(28-3)17(22)13-16/h6-13,20H,4-5,14H2,1-3H3,(H,23,26)(H,24,27)
InChIKeyMZRIMHYRXYPVIT-UHFFFAOYSA-N
MW403.91 g/mol
LogP3.49
Rot. Bonds9

About N-(3-chloro-4-methoxyphenyl)-2-[ethyl-[2-(ethylamino)-2-oxoethyl]amino]-2-phenylacetamide

N-(3-chloro-4-methoxyphenyl)-2-[ethyl-[2-(ethylamino)-2-oxoethyl]amino]-2-phenylacetamide (PubChem CID 85008705) has the molecular formula C21H26ClN3O3 and a molecular weight of 403.91 g/mol. Its IUPAC name is N-(3-chloro-4-methoxyphenyl)-2-[ethyl-[2-(ethylamino)-2-oxoethyl]amino]-2-phenylacetamide.

Molecular Properties

Compound NameN-(3-chloro-4-methoxyphenyl)-2-[ethyl-[2-(ethylamino)-2-oxoethyl]amino]-2-phenylacetamide
PubChem CID85008705
Molecular FormulaC21H26ClN3O3
Molecular Weight403.91 g/mol
Exact Mass403.17
IUPAC NameN-(3-chloro-4-methoxyphenyl)-2-[ethyl-[2-(ethylamino)-2-oxoethyl]amino]-2-phenylacetamide
SMILESCCNC(=O)CN(CC)C(C(=O)Nc1ccc(OC)c(Cl)c1)c1ccccc1
InChIInChI=1S/C21H26ClN3O3/c1-4-23-19(26)14-25(5-2)20(15-9-7-6-8-10-15)21(27)24-16-11-12-18(28-3)17(22)13-16/h6-13,20H,4-5,14H2,1-3H3,(H,23,26)(H,24,27)
InChIKeyMZRIMHYRXYPVIT-UHFFFAOYSA-N
XLogP3.49
TPSA70.67 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500403.91
LogP ≤ 53.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-ethyl-2-[ethyl-(2-hydrazinyl-2-oxo-1-phenylethyl)amino]acetamide
CID 63579664
2-[3-acetamidopropyl(methyl)amino]-N-(3-chloro-4-methoxyphenyl)-2-phenylacetamide
CID 86969454
(2R)-2-chloro-N-(3-chloro-4-methoxyphenyl)-2-phenylacetamide
CID 2392261
2-anilino-N-(3-chloro-4-methoxyphenyl)-2-phenylacetamide
CID 4879709
2-[2-(4-bromophenoxy)ethyl-methylamino]-N-(3-chloro-4-methoxyphenyl)-2-phenylacetamide
CID 4969343
3-(3-chloro-4-methoxyphenyl)-1-ethyl-1-phenylurea
CID 108991522
benzhydryl-[2-(3-chloro-4-methoxyanilino)-2-oxoethyl]azanium
CID 7999776
3-(3-chloro-4-methoxyanilino)-2-methyl-3-oxopropanoic acid
CID 83550580
N-[2-(3-chloro-4-methoxyanilino)-2-oxoethyl]-2-phenylacetamide
CID 9468421
N-(3-chloro-4-methoxyphenyl)-2-[[(1S)-2-methyl-1-phenylpropyl]amino]acetamide
CID 9131635
2-[[2-(2,6-difluoroanilino)-2-oxoethyl]-ethylamino]-N,2-diphenylacetamide
CID 112804241
2-amino-N-(3-chloro-4-methoxyphenyl)-3-methylpentanamide
CID 24707805

Frequently Asked Questions

What is the IUPAC name of N-(3-chloro-4-methoxyphenyl)-2-[ethyl-[2-(ethylamino)-2-oxoethyl]amino]-2-phenylacetamide?
The IUPAC name of N-(3-chloro-4-methoxyphenyl)-2-[ethyl-[2-(ethylamino)-2-oxoethyl]amino]-2-phenylacetamide (CID 85008705) is N-(3-chloro-4-methoxyphenyl)-2-[ethyl-[2-(ethylamino)-2-oxoethyl]amino]-2-phenylacetamide.
What is the SMILES notation for N-(3-chloro-4-methoxyphenyl)-2-[ethyl-[2-(ethylamino)-2-oxoethyl]amino]-2-phenylacetamide?
The canonical SMILES for N-(3-chloro-4-methoxyphenyl)-2-[ethyl-[2-(ethylamino)-2-oxoethyl]amino]-2-phenylacetamide is CCNC(=O)CN(CC)C(C(=O)Nc1ccc(OC)c(Cl)c1)c1ccccc1.
What is the InChIKey of N-(3-chloro-4-methoxyphenyl)-2-[ethyl-[2-(ethylamino)-2-oxoethyl]amino]-2-phenylacetamide?
The InChIKey is MZRIMHYRXYPVIT-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26ClN3O3/c1-4-23-19(26)14-25(5-2)20(15-9-7-6-8-10-15)21(27)24-16-11-12-18(28-3)17(22)13-16/h6-13,20H,4-5,14H2,1-3H3,(H,23,26)(H,24,27).
What are the key properties of N-(3-chloro-4-methoxyphenyl)-2-[ethyl-[2-(ethylamino)-2-oxoethyl]amino]-2-phenylacetamide?
N-(3-chloro-4-methoxyphenyl)-2-[ethyl-[2-(ethylamino)-2-oxoethyl]amino]-2-phenylacetamide has a molecular weight of 403.91 g/mol, XLogP of 3.49, 9 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-chloro-4-methoxyphenyl)-2-[ethyl-[2-(ethylamino)-2-oxoethyl]amino]-2-phenylacetamide is sourced from PubChem (CID 85008705), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).