N-benzyl-2-[[2-(5-chloro-2-methoxyanilino)-2-oxoethyl]-methylamino]propanamide

C20H24ClN3O3 — CID 51167337

IUPACN-benzyl-2-[[2-(5-chloro-2-methoxyanilino)-2-oxoethyl]-methylamino]propanamide
SMILESCOc1ccc(Cl)cc1NC(=O)CN(C)C(C)C(=O)NCc1ccccc1
InChIInChI=1S/C20H24ClN3O3/c1-14(20(26)22-12-15-7-5-4-6-8-15)24(2)13-19(25)23-17-11-16(21)9-10-18(17)27-3/h4-11,14H,12-13H2,1-3H3,(H,22,26)(H,23,25)
InChIKeyIIBHUMSVJWSBLR-UHFFFAOYSA-N
MW389.88 g/mol
LogP2.92
Rot. Bonds8

About N-benzyl-2-[[2-(5-chloro-2-methoxyanilino)-2-oxoethyl]-methylamino]propanamide

N-benzyl-2-[[2-(5-chloro-2-methoxyanilino)-2-oxoethyl]-methylamino]propanamide (PubChem CID 51167337) has the molecular formula C20H24ClN3O3 and a molecular weight of 389.88 g/mol. Its IUPAC name is N-benzyl-2-[[2-(5-chloro-2-methoxyanilino)-2-oxoethyl]-methylamino]propanamide.

Molecular Properties

Compound NameN-benzyl-2-[[2-(5-chloro-2-methoxyanilino)-2-oxoethyl]-methylamino]propanamide
PubChem CID51167337
Molecular FormulaC20H24ClN3O3
Molecular Weight389.88 g/mol
Exact Mass389.15
IUPAC NameN-benzyl-2-[[2-(5-chloro-2-methoxyanilino)-2-oxoethyl]-methylamino]propanamide
SMILESCOc1ccc(Cl)cc1NC(=O)CN(C)C(C)C(=O)NCc1ccccc1
InChIInChI=1S/C20H24ClN3O3/c1-14(20(26)22-12-15-7-5-4-6-8-15)24(2)13-19(25)23-17-11-16(21)9-10-18(17)27-3/h4-11,14H,12-13H2,1-3H3,(H,22,26)(H,23,25)
InChIKeyIIBHUMSVJWSBLR-UHFFFAOYSA-N
XLogP2.92
TPSA70.67 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.88
LogP ≤ 52.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-[[2-(5-chloro-2-methoxyanilino)-2-oxoethyl]-methylamino]-N-[(2-methoxyphenyl)methyl]propanamide
CID 55430628
2-[[2-(5-chloro-2-methoxyanilino)-2-oxoethyl]-methylamino]-N-(2-fluorophenyl)propanamide
CID 51167338
(2S)-N-(5-chloro-2-methoxyphenyl)-2-[methyl-[2-oxo-2-(propan-2-ylamino)ethyl]amino]propanamide
CID 9049502
N-(5-chloro-2-methoxyphenyl)-2-[[2-(3,4-dichloroanilino)-2-oxoethyl]-methylamino]propanamide
CID 46801808
2-[[2-(5-chloro-2-methoxyanilino)-2-oxoethyl]-methylamino]-N-(2,3-dihydro-1,4-benzodioxin-6-yl)propanamide
CID 17441111
2-[acetyl(propan-2-yl)amino]-N-(5-chloro-2-methoxyphenyl)acetamide
CID 113158224
N-[(3,4-dimethoxyphenyl)methyl]-2-[[2-(2,3-dimethylanilino)-2-oxoethyl]-methylamino]propanamide
CID 55432537
2-[(2-anilino-2-oxoethyl)-methylamino]-N-[(3-methoxyphenyl)methyl]propanamide
CID 55639256
N-benzyl-2-[[2-(4-bromo-2-methylanilino)-2-oxoethyl]-methylamino]propanamide
CID 42911650
N-[2-(5-chloro-2-methoxyanilino)-2-oxoethyl]-2-phenylacetamide
CID 9413480
2-[[2-(5-chloro-2-methoxyanilino)-2-oxoethyl]-methylamino]-N-[(3,4-dimethoxyphenyl)methyl]acetamide
CID 27245883
N-benzyl-2-[(3-fluoro-4-methoxyphenyl)methyl-methylamino]propanamide
CID 18088306

Frequently Asked Questions

What is the IUPAC name of N-benzyl-2-[[2-(5-chloro-2-methoxyanilino)-2-oxoethyl]-methylamino]propanamide?
The IUPAC name of N-benzyl-2-[[2-(5-chloro-2-methoxyanilino)-2-oxoethyl]-methylamino]propanamide (CID 51167337) is N-benzyl-2-[[2-(5-chloro-2-methoxyanilino)-2-oxoethyl]-methylamino]propanamide.
What is the SMILES notation for N-benzyl-2-[[2-(5-chloro-2-methoxyanilino)-2-oxoethyl]-methylamino]propanamide?
The canonical SMILES for N-benzyl-2-[[2-(5-chloro-2-methoxyanilino)-2-oxoethyl]-methylamino]propanamide is COc1ccc(Cl)cc1NC(=O)CN(C)C(C)C(=O)NCc1ccccc1.
What is the InChIKey of N-benzyl-2-[[2-(5-chloro-2-methoxyanilino)-2-oxoethyl]-methylamino]propanamide?
The InChIKey is IIBHUMSVJWSBLR-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24ClN3O3/c1-14(20(26)22-12-15-7-5-4-6-8-15)24(2)13-19(25)23-17-11-16(21)9-10-18(17)27-3/h4-11,14H,12-13H2,1-3H3,(H,22,26)(H,23,25).
What are the key properties of N-benzyl-2-[[2-(5-chloro-2-methoxyanilino)-2-oxoethyl]-methylamino]propanamide?
N-benzyl-2-[[2-(5-chloro-2-methoxyanilino)-2-oxoethyl]-methylamino]propanamide has a molecular weight of 389.88 g/mol, XLogP of 2.92, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-2-[[2-(5-chloro-2-methoxyanilino)-2-oxoethyl]-methylamino]propanamide is sourced from PubChem (CID 51167337), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).