2-[[2-(tert-butylamino)-2-oxoethyl]-methylamino]-N-[(1R)-1,2-diphenylethyl]acetamide

C23H31N3O2 — CID 8768418

IUPAC2-[[2-(tert-butylamino)-2-oxoethyl]-methylamino]-N-[(1R)-1,2-diphenylethyl]acetamide
SMILESCN(CC(=O)N[C@H](Cc1ccccc1)c1ccccc1)CC(=O)NC(C)(C)C
InChIInChI=1S/C23H31N3O2/c1-23(2,3)25-22(28)17-26(4)16-21(27)24-20(19-13-9-6-10-14-19)15-18-11-7-5-8-12-18/h5-14,20H,15-17H2,1-4H3,(H,24,27)(H,25,28)/t20-/m1/s1
InChIKeyLMHTZPZUAWJKHO-HXUWFJFHSA-N
MW381.52 g/mol
LogP2.93
Rot. Bonds8

About 2-[[2-(tert-butylamino)-2-oxoethyl]-methylamino]-N-[(1R)-1,2-diphenylethyl]acetamide

2-[[2-(tert-butylamino)-2-oxoethyl]-methylamino]-N-[(1R)-1,2-diphenylethyl]acetamide (PubChem CID 8768418) has the molecular formula C23H31N3O2 and a molecular weight of 381.52 g/mol. Its IUPAC name is 2-[[2-(tert-butylamino)-2-oxoethyl]-methylamino]-N-[(1R)-1,2-diphenylethyl]acetamide.

Molecular Properties

Compound Name2-[[2-(tert-butylamino)-2-oxoethyl]-methylamino]-N-[(1R)-1,2-diphenylethyl]acetamide
PubChem CID8768418
Molecular FormulaC23H31N3O2
Molecular Weight381.52 g/mol
Exact Mass381.24
IUPAC Name2-[[2-(tert-butylamino)-2-oxoethyl]-methylamino]-N-[(1R)-1,2-diphenylethyl]acetamide
SMILESCN(CC(=O)N[C@H](Cc1ccccc1)c1ccccc1)CC(=O)NC(C)(C)C
InChIInChI=1S/C23H31N3O2/c1-23(2,3)25-22(28)17-26(4)16-21(27)24-20(19-13-9-6-10-14-19)15-18-11-7-5-8-12-18/h5-14,20H,15-17H2,1-4H3,(H,24,27)(H,25,28)/t20-/m1/s1
InChIKeyLMHTZPZUAWJKHO-HXUWFJFHSA-N
XLogP2.93
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.52
LogP ≤ 52.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(1,2-diphenylethyl)-2-[2-hydroxyethyl(methyl)amino]acetamide
CID 110880802
methyl 2-[[2-[[2-(tert-butylamino)-2-oxoethyl]-methylamino]acetyl]amino]-3-phenylpropanoate
CID 56827988
2-[[2-(1,2-diphenylethylamino)-2-oxoethyl]-methylamino]-N-(2,4,6-trimethylphenyl)acetamide
CID 55381874
2-[[2-(tert-butylamino)-2-oxoethyl]-methylamino]-N-[1-(4-chlorophenyl)propyl]acetamide
CID 86919184
N-tert-butyl-2-[[(2R)-2-hydroxy-2-phenylethyl]-methylamino]acetamide
CID 34900161
N-[(1S)-1,2-diphenylethyl]-2,2-dimethylpropanamide
CID 41097241
1-(1,2-diphenylethyl)-3-methylurea
CID 23548551
2-[[2-(tert-butylamino)-2-oxoethyl]-methylamino]-N-[(1S)-1-(3-chlorophenyl)ethyl]acetamide
CID 8767844
2-[(1,1-dioxothian-4-yl)-methylamino]-N-[(1R)-1,2-diphenylethyl]acetamide
CID 95786005
2-[methyl-[2-[[(1S)-3-methyl-1-phenylbutyl]amino]-2-oxoethyl]amino]-N-propan-2-ylacetamide
CID 8913845
2-[benzyl(methyl)amino]-N-(1-phenylethyl)acetamide
CID 18078396
N-(1,2-diphenylethyl)pentanamide
CID 134014505

Frequently Asked Questions

What is the IUPAC name of 2-[[2-(tert-butylamino)-2-oxoethyl]-methylamino]-N-[(1R)-1,2-diphenylethyl]acetamide?
The IUPAC name of 2-[[2-(tert-butylamino)-2-oxoethyl]-methylamino]-N-[(1R)-1,2-diphenylethyl]acetamide (CID 8768418) is 2-[[2-(tert-butylamino)-2-oxoethyl]-methylamino]-N-[(1R)-1,2-diphenylethyl]acetamide.
What is the SMILES notation for 2-[[2-(tert-butylamino)-2-oxoethyl]-methylamino]-N-[(1R)-1,2-diphenylethyl]acetamide?
The canonical SMILES for 2-[[2-(tert-butylamino)-2-oxoethyl]-methylamino]-N-[(1R)-1,2-diphenylethyl]acetamide is CN(CC(=O)N[C@H](Cc1ccccc1)c1ccccc1)CC(=O)NC(C)(C)C.
What is the InChIKey of 2-[[2-(tert-butylamino)-2-oxoethyl]-methylamino]-N-[(1R)-1,2-diphenylethyl]acetamide?
The InChIKey is LMHTZPZUAWJKHO-HXUWFJFHSA-N. The full InChI is InChI=1S/C23H31N3O2/c1-23(2,3)25-22(28)17-26(4)16-21(27)24-20(19-13-9-6-10-14-19)15-18-11-7-5-8-12-18/h5-14,20H,15-17H2,1-4H3,(H,24,27)(H,25,28)/t20-/m1/s1.
What are the key properties of 2-[[2-(tert-butylamino)-2-oxoethyl]-methylamino]-N-[(1R)-1,2-diphenylethyl]acetamide?
2-[[2-(tert-butylamino)-2-oxoethyl]-methylamino]-N-[(1R)-1,2-diphenylethyl]acetamide has a molecular weight of 381.52 g/mol, XLogP of 2.93, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-(tert-butylamino)-2-oxoethyl]-methylamino]-N-[(1R)-1,2-diphenylethyl]acetamide is sourced from PubChem (CID 8768418), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).