N-(5-chloro-2-methylphenyl)-2-[ethyl-[2-[methyl-[(1R)-1-phenylethyl]amino]-2-oxoethyl]amino]acetamide

C22H28ClN3O2 — CID 8791816

IUPACN-(5-chloro-2-methylphenyl)-2-[ethyl-[2-[methyl-[(1R)-1-phenylethyl]amino]-2-oxoethyl]amino]acetamide
SMILESCCN(CC(=O)Nc1cc(Cl)ccc1C)CC(=O)N(C)[C@H](C)c1ccccc1
InChIInChI=1S/C22H28ClN3O2/c1-5-26(14-21(27)24-20-13-19(23)12-11-16(20)2)15-22(28)25(4)17(3)18-9-7-6-8-10-18/h6-13,17H,5,14-15H2,1-4H3,(H,24,27)/t17-/m1/s1
InChIKeyWIAJVUOZXKQKRQ-QGZVFWFLSA-N
MW401.94 g/mol
LogP4.13
Rot. Bonds8

About N-(5-chloro-2-methylphenyl)-2-[ethyl-[2-[methyl-[(1R)-1-phenylethyl]amino]-2-oxoethyl]amino]acetamide

N-(5-chloro-2-methylphenyl)-2-[ethyl-[2-[methyl-[(1R)-1-phenylethyl]amino]-2-oxoethyl]amino]acetamide (PubChem CID 8791816) has the molecular formula C22H28ClN3O2 and a molecular weight of 401.94 g/mol. Its IUPAC name is N-(5-chloro-2-methylphenyl)-2-[ethyl-[2-[methyl-[(1R)-1-phenylethyl]amino]-2-oxoethyl]amino]acetamide.

Molecular Properties

Compound NameN-(5-chloro-2-methylphenyl)-2-[ethyl-[2-[methyl-[(1R)-1-phenylethyl]amino]-2-oxoethyl]amino]acetamide
PubChem CID8791816
Molecular FormulaC22H28ClN3O2
Molecular Weight401.94 g/mol
Exact Mass401.19
IUPAC NameN-(5-chloro-2-methylphenyl)-2-[ethyl-[2-[methyl-[(1R)-1-phenylethyl]amino]-2-oxoethyl]amino]acetamide
SMILESCCN(CC(=O)Nc1cc(Cl)ccc1C)CC(=O)N(C)[C@H](C)c1ccccc1
InChIInChI=1S/C22H28ClN3O2/c1-5-26(14-21(27)24-20-13-19(23)12-11-16(20)2)15-22(28)25(4)17(3)18-9-7-6-8-10-18/h6-13,17H,5,14-15H2,1-4H3,(H,24,27)/t17-/m1/s1
InChIKeyWIAJVUOZXKQKRQ-QGZVFWFLSA-N
XLogP4.13
TPSA52.65 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500401.94
LogP ≤ 54.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze N-(5-chloro-2-methylphenyl)-2-[ethyl-[2-[methyl-[(1R)-1-phenylethyl]amino]-2-oxoethyl]amino]acetamide with MolForge

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Related Compounds

2-[[2-(benzhydrylamino)-2-oxoethyl]-ethylamino]-N-(5-chloro-2-methylphenyl)acetamide
CID 16554961
N-(5-chloro-2-methylphenyl)-2-[methylsulfonyl(1-phenylethyl)amino]acetamide
CID 113150897
N-(5-chloro-2-methylphenyl)-2-[ethyl-[2-oxo-2-[[(1R)-1-thiophen-2-ylethyl]amino]ethyl]amino]acetamide
CID 8791826
N-(5-chloro-2-methylphenyl)-2-[ethyl(3-hydroxypropyl)amino]acetamide
CID 115573461
2-[[2-(5-chloro-2-methylanilino)-2-oxoethyl]-ethylamino]-N-(2,4-dimethylphenyl)acetamide
CID 8780400
N-(5-chloro-2-methylphenyl)-3-phenylbutanamide
CID 2915392
2-[[2-(5-chloro-2-methylanilino)-2-oxoethyl]-ethylamino]-N-(3-fluorophenyl)acetamide
CID 8780475
N-(4-chloro-2,5-dimethoxyphenyl)-2-[[2-(5-chloro-2-methylanilino)-2-oxoethyl]-ethylamino]acetamide
CID 24565573
2-[[2-(5-chloro-2-methylanilino)-2-oxoethyl]-ethylamino]-N-(3-methyl-1,2-oxazol-5-yl)acetamide
CID 18135124
3-[benzyl(ethyl)amino]-N-(5-chloro-2-methylphenyl)propanamide
CID 109023093
N-[2-(5-chloro-2-methylanilino)-2-oxoethyl]-2-[[(1S)-1-(3-chlorophenyl)ethyl]amino]-N-ethylacetamide
CID 8599257
4-amino-N-(5-chloro-2-methylphenyl)pentanamide;hydrochloride
CID 120558801

Frequently Asked Questions

What is the IUPAC name of N-(5-chloro-2-methylphenyl)-2-[ethyl-[2-[methyl-[(1R)-1-phenylethyl]amino]-2-oxoethyl]amino]acetamide?
The IUPAC name of N-(5-chloro-2-methylphenyl)-2-[ethyl-[2-[methyl-[(1R)-1-phenylethyl]amino]-2-oxoethyl]amino]acetamide (CID 8791816) is N-(5-chloro-2-methylphenyl)-2-[ethyl-[2-[methyl-[(1R)-1-phenylethyl]amino]-2-oxoethyl]amino]acetamide.
What is the SMILES notation for N-(5-chloro-2-methylphenyl)-2-[ethyl-[2-[methyl-[(1R)-1-phenylethyl]amino]-2-oxoethyl]amino]acetamide?
The canonical SMILES for N-(5-chloro-2-methylphenyl)-2-[ethyl-[2-[methyl-[(1R)-1-phenylethyl]amino]-2-oxoethyl]amino]acetamide is CCN(CC(=O)Nc1cc(Cl)ccc1C)CC(=O)N(C)[C@H](C)c1ccccc1.
What is the InChIKey of N-(5-chloro-2-methylphenyl)-2-[ethyl-[2-[methyl-[(1R)-1-phenylethyl]amino]-2-oxoethyl]amino]acetamide?
The InChIKey is WIAJVUOZXKQKRQ-QGZVFWFLSA-N. The full InChI is InChI=1S/C22H28ClN3O2/c1-5-26(14-21(27)24-20-13-19(23)12-11-16(20)2)15-22(28)25(4)17(3)18-9-7-6-8-10-18/h6-13,17H,5,14-15H2,1-4H3,(H,24,27)/t17-/m1/s1.
What are the key properties of N-(5-chloro-2-methylphenyl)-2-[ethyl-[2-[methyl-[(1R)-1-phenylethyl]amino]-2-oxoethyl]amino]acetamide?
N-(5-chloro-2-methylphenyl)-2-[ethyl-[2-[methyl-[(1R)-1-phenylethyl]amino]-2-oxoethyl]amino]acetamide has a molecular weight of 401.94 g/mol, XLogP of 4.13, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-chloro-2-methylphenyl)-2-[ethyl-[2-[methyl-[(1R)-1-phenylethyl]amino]-2-oxoethyl]amino]acetamide is sourced from PubChem (CID 8791816), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).