N-(2-chlorophenyl)-2-[methyl-[2-[[(1R)-1-(4-methylphenyl)propyl]amino]-2-oxoethyl]amino]acetamide

C21H26ClN3O2 — CID 9037201

IUPACN-(2-chlorophenyl)-2-[methyl-[2-[[(1R)-1-(4-methylphenyl)propyl]amino]-2-oxoethyl]amino]acetamide
SMILESCC[C@@H](NC(=O)CN(C)CC(=O)Nc1ccccc1Cl)c1ccc(C)cc1
InChIInChI=1S/C21H26ClN3O2/c1-4-18(16-11-9-15(2)10-12-16)23-20(26)13-25(3)14-21(27)24-19-8-6-5-7-17(19)22/h5-12,18H,4,13-14H2,1-3H3,(H,23,26)(H,24,27)/t18-/m1/s1
InChIKeyZYACCHQLXAEOQE-GOSISDBHSA-N
MW387.91 g/mol
LogP3.79
Rot. Bonds8

About N-(2-chlorophenyl)-2-[methyl-[2-[[(1R)-1-(4-methylphenyl)propyl]amino]-2-oxoethyl]amino]acetamide

N-(2-chlorophenyl)-2-[methyl-[2-[[(1R)-1-(4-methylphenyl)propyl]amino]-2-oxoethyl]amino]acetamide (PubChem CID 9037201) has the molecular formula C21H26ClN3O2 and a molecular weight of 387.91 g/mol. Its IUPAC name is N-(2-chlorophenyl)-2-[methyl-[2-[[(1R)-1-(4-methylphenyl)propyl]amino]-2-oxoethyl]amino]acetamide.

Molecular Properties

Compound NameN-(2-chlorophenyl)-2-[methyl-[2-[[(1R)-1-(4-methylphenyl)propyl]amino]-2-oxoethyl]amino]acetamide
PubChem CID9037201
Molecular FormulaC21H26ClN3O2
Molecular Weight387.91 g/mol
Exact Mass387.17
IUPAC NameN-(2-chlorophenyl)-2-[methyl-[2-[[(1R)-1-(4-methylphenyl)propyl]amino]-2-oxoethyl]amino]acetamide
SMILESCC[C@@H](NC(=O)CN(C)CC(=O)Nc1ccccc1Cl)c1ccc(C)cc1
InChIInChI=1S/C21H26ClN3O2/c1-4-18(16-11-9-15(2)10-12-16)23-20(26)13-25(3)14-21(27)24-19-8-6-5-7-17(19)22/h5-12,18H,4,13-14H2,1-3H3,(H,23,26)(H,24,27)/t18-/m1/s1
InChIKeyZYACCHQLXAEOQE-GOSISDBHSA-N
XLogP3.79
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.91
LogP ≤ 53.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(2,6-dichlorophenyl)-2-[methyl-[2-[[(1R)-1-(4-methylphenyl)propyl]amino]-2-oxoethyl]amino]acetamide
CID 9287102
[2-(2-chloroanilino)-2-oxoethyl]-methyl-[2-[[(1R)-1-(4-methylphenyl)propyl]amino]-2-oxoethyl]azanium
CID 9037200
N-(4-butan-2-ylphenyl)-2-[[2-(2-chloroanilino)-2-oxoethyl]-methylamino]acetamide
CID 42913792
2-[[2-[bis(4-methoxyphenyl)methylamino]-2-oxoethyl]-methylamino]-N-(2-chlorophenyl)acetamide
CID 27637883
N-(2-chlorophenyl)-2-[[2-[[(1R)-1-(2-chlorophenyl)ethyl]amino]-2-oxoethyl]-methylamino]acetamide
CID 9037030
2-(2-chloro-N-methylsulfonylanilino)-N-[(1R)-1-(4-methylphenyl)propyl]acetamide
CID 99958229
2-[(2-chlorophenyl)methyl-methylsulfonylamino]-N-[(1R)-1-(4-methylphenyl)propyl]acetamide
CID 100748225
ethyl N-[2-[[2-(2-chloroanilino)-2-oxoethyl]-methylamino]acetyl]carbamate
CID 9036414
2-[[(1S)-1-(4-bromophenyl)propyl]amino]-N-(2-chlorophenyl)acetamide
CID 9263506
2-[[(1R)-1-(4-bromophenyl)propyl]amino]-N-(2-chlorophenyl)acetamide
CID 9263511
2-[[2-(tert-butylamino)-2-oxoethyl]-methylamino]-N-[1-(4-chlorophenyl)propyl]acetamide
CID 86919184
N-[2-(2-chloroanilino)-2-oxoethyl]-N-methyl-2-(4-methylphenyl)acetamide
CID 9145607

Frequently Asked Questions

What is the IUPAC name of N-(2-chlorophenyl)-2-[methyl-[2-[[(1R)-1-(4-methylphenyl)propyl]amino]-2-oxoethyl]amino]acetamide?
The IUPAC name of N-(2-chlorophenyl)-2-[methyl-[2-[[(1R)-1-(4-methylphenyl)propyl]amino]-2-oxoethyl]amino]acetamide (CID 9037201) is N-(2-chlorophenyl)-2-[methyl-[2-[[(1R)-1-(4-methylphenyl)propyl]amino]-2-oxoethyl]amino]acetamide.
What is the SMILES notation for N-(2-chlorophenyl)-2-[methyl-[2-[[(1R)-1-(4-methylphenyl)propyl]amino]-2-oxoethyl]amino]acetamide?
The canonical SMILES for N-(2-chlorophenyl)-2-[methyl-[2-[[(1R)-1-(4-methylphenyl)propyl]amino]-2-oxoethyl]amino]acetamide is CC[C@@H](NC(=O)CN(C)CC(=O)Nc1ccccc1Cl)c1ccc(C)cc1.
What is the InChIKey of N-(2-chlorophenyl)-2-[methyl-[2-[[(1R)-1-(4-methylphenyl)propyl]amino]-2-oxoethyl]amino]acetamide?
The InChIKey is ZYACCHQLXAEOQE-GOSISDBHSA-N. The full InChI is InChI=1S/C21H26ClN3O2/c1-4-18(16-11-9-15(2)10-12-16)23-20(26)13-25(3)14-21(27)24-19-8-6-5-7-17(19)22/h5-12,18H,4,13-14H2,1-3H3,(H,23,26)(H,24,27)/t18-/m1/s1.
What are the key properties of N-(2-chlorophenyl)-2-[methyl-[2-[[(1R)-1-(4-methylphenyl)propyl]amino]-2-oxoethyl]amino]acetamide?
N-(2-chlorophenyl)-2-[methyl-[2-[[(1R)-1-(4-methylphenyl)propyl]amino]-2-oxoethyl]amino]acetamide has a molecular weight of 387.91 g/mol, XLogP of 3.79, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-chlorophenyl)-2-[methyl-[2-[[(1R)-1-(4-methylphenyl)propyl]amino]-2-oxoethyl]amino]acetamide is sourced from PubChem (CID 9037201), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).