2-[methyl-[2-[methyl-[(1S)-1-phenylethyl]amino]-2-oxoethyl]amino]-N-(4-methylphenyl)acetamide

C21H27N3O2 — CID 9347465

IUPAC2-[methyl-[2-[methyl-[(1S)-1-phenylethyl]amino]-2-oxoethyl]amino]-N-(4-methylphenyl)acetamide
SMILESCc1ccc(NC(=O)CN(C)CC(=O)N(C)[C@@H](C)c2ccccc2)cc1
InChIInChI=1S/C21H27N3O2/c1-16-10-12-19(13-11-16)22-20(25)14-23(3)15-21(26)24(4)17(2)18-8-6-5-7-9-18/h5-13,17H,14-15H2,1-4H3,(H,22,25)/t17-/m0/s1
InChIKeyHOKNEOROXQABMW-KRWDZBQOSA-N
MW353.47 g/mol
LogP3.08
Rot. Bonds7

About 2-[methyl-[2-[methyl-[(1S)-1-phenylethyl]amino]-2-oxoethyl]amino]-N-(4-methylphenyl)acetamide

2-[methyl-[2-[methyl-[(1S)-1-phenylethyl]amino]-2-oxoethyl]amino]-N-(4-methylphenyl)acetamide (PubChem CID 9347465) has the molecular formula C21H27N3O2 and a molecular weight of 353.47 g/mol. Its IUPAC name is 2-[methyl-[2-[methyl-[(1S)-1-phenylethyl]amino]-2-oxoethyl]amino]-N-(4-methylphenyl)acetamide.

Molecular Properties

Compound Name2-[methyl-[2-[methyl-[(1S)-1-phenylethyl]amino]-2-oxoethyl]amino]-N-(4-methylphenyl)acetamide
PubChem CID9347465
Molecular FormulaC21H27N3O2
Molecular Weight353.47 g/mol
Exact Mass353.21
IUPAC Name2-[methyl-[2-[methyl-[(1S)-1-phenylethyl]amino]-2-oxoethyl]amino]-N-(4-methylphenyl)acetamide
SMILESCc1ccc(NC(=O)CN(C)CC(=O)N(C)[C@@H](C)c2ccccc2)cc1
InChIInChI=1S/C21H27N3O2/c1-16-10-12-19(13-11-16)22-20(25)14-23(3)15-21(26)24(4)17(2)18-8-6-5-7-9-18/h5-13,17H,14-15H2,1-4H3,(H,22,25)/t17-/m0/s1
InChIKeyHOKNEOROXQABMW-KRWDZBQOSA-N
XLogP3.08
TPSA52.65 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.47
LogP ≤ 53.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(4-fluorophenyl)-2-[methyl-[2-[methyl-[(1R)-1-phenylethyl]amino]-2-oxoethyl]amino]acetamide
CID 9348198
N-(3,4-dichlorophenyl)-2-[methyl-[2-[methyl-[(1S)-1-phenylethyl]amino]-2-oxoethyl]amino]acetamide
CID 9348587
N-(3-methoxyphenyl)-2-[methyl-[2-[methyl-[(1S)-1-phenylethyl]amino]-2-oxoethyl]amino]acetamide
CID 8555813
N-(2,3-dimethylphenyl)-2-[methyl-[2-[methyl-[(1R)-1-phenylethyl]amino]-2-oxoethyl]amino]acetamide
CID 9348322
2-[methyl-[2-[methyl-[2-(4-methylanilino)-2-oxoethyl]amino]-2-oxoethyl]amino]-N-(4-methylphenyl)acetamide
CID 40696364
2-[methyl-[2-oxo-2-[[(R)-phenyl(thiophen-2-yl)methyl]amino]ethyl]amino]-N-(4-methylphenyl)acetamide
CID 8786221
2-[3-hydroxybutyl(methyl)amino]-N-(4-methylphenyl)acetamide
CID 111496814
2-[methyl(1-phenylethyl)amino]-N-phenylacetamide
CID 47109719
N-(4-methylphenyl)-2-[methyl(2-phenylethyl)amino]acetamide
CID 8785343
N-(4-chlorophenyl)-2-[methyl-[2-[methyl(propan-2-yl)amino]-2-oxoethyl]amino]acetamide
CID 8816054
(2R)-N,N-dimethyl-2-[methyl-[2-(4-methylanilino)-2-oxoethyl]amino]-2-phenylacetamide
CID 8785935
2-[(2-hydroxy-2-methylpropyl)-methylamino]-N-methyl-N-(1-phenylethyl)acetamide
CID 78964844

Frequently Asked Questions

What is the IUPAC name of 2-[methyl-[2-[methyl-[(1S)-1-phenylethyl]amino]-2-oxoethyl]amino]-N-(4-methylphenyl)acetamide?
The IUPAC name of 2-[methyl-[2-[methyl-[(1S)-1-phenylethyl]amino]-2-oxoethyl]amino]-N-(4-methylphenyl)acetamide (CID 9347465) is 2-[methyl-[2-[methyl-[(1S)-1-phenylethyl]amino]-2-oxoethyl]amino]-N-(4-methylphenyl)acetamide.
What is the SMILES notation for 2-[methyl-[2-[methyl-[(1S)-1-phenylethyl]amino]-2-oxoethyl]amino]-N-(4-methylphenyl)acetamide?
The canonical SMILES for 2-[methyl-[2-[methyl-[(1S)-1-phenylethyl]amino]-2-oxoethyl]amino]-N-(4-methylphenyl)acetamide is Cc1ccc(NC(=O)CN(C)CC(=O)N(C)[C@@H](C)c2ccccc2)cc1.
What is the InChIKey of 2-[methyl-[2-[methyl-[(1S)-1-phenylethyl]amino]-2-oxoethyl]amino]-N-(4-methylphenyl)acetamide?
The InChIKey is HOKNEOROXQABMW-KRWDZBQOSA-N. The full InChI is InChI=1S/C21H27N3O2/c1-16-10-12-19(13-11-16)22-20(25)14-23(3)15-21(26)24(4)17(2)18-8-6-5-7-9-18/h5-13,17H,14-15H2,1-4H3,(H,22,25)/t17-/m0/s1.
What are the key properties of 2-[methyl-[2-[methyl-[(1S)-1-phenylethyl]amino]-2-oxoethyl]amino]-N-(4-methylphenyl)acetamide?
2-[methyl-[2-[methyl-[(1S)-1-phenylethyl]amino]-2-oxoethyl]amino]-N-(4-methylphenyl)acetamide has a molecular weight of 353.47 g/mol, XLogP of 3.08, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[methyl-[2-[methyl-[(1S)-1-phenylethyl]amino]-2-oxoethyl]amino]-N-(4-methylphenyl)acetamide is sourced from PubChem (CID 9347465), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).