N-tert-butyl-2-[methyl-[2-[methyl(1-phenylethyl)amino]acetyl]amino]acetamide

C18H29N3O2 — CID 51226996

IUPACN-tert-butyl-2-[methyl-[2-[methyl(1-phenylethyl)amino]acetyl]amino]acetamide
SMILESCC(c1ccccc1)N(C)CC(=O)N(C)CC(=O)NC(C)(C)C
InChIInChI=1S/C18H29N3O2/c1-14(15-10-8-7-9-11-15)20(5)13-17(23)21(6)12-16(22)19-18(2,3)4/h7-11,14H,12-13H2,1-6H3,(H,19,22)
InChIKeyHFGGCMLBWQAEDF-UHFFFAOYSA-N
MW319.45 g/mol
LogP2.05
Rot. Bonds6

About N-tert-butyl-2-[methyl-[2-[methyl(1-phenylethyl)amino]acetyl]amino]acetamide

N-tert-butyl-2-[methyl-[2-[methyl(1-phenylethyl)amino]acetyl]amino]acetamide (PubChem CID 51226996) has the molecular formula C18H29N3O2 and a molecular weight of 319.45 g/mol. Its IUPAC name is N-tert-butyl-2-[methyl-[2-[methyl(1-phenylethyl)amino]acetyl]amino]acetamide.

Molecular Properties

Compound NameN-tert-butyl-2-[methyl-[2-[methyl(1-phenylethyl)amino]acetyl]amino]acetamide
PubChem CID51226996
Molecular FormulaC18H29N3O2
Molecular Weight319.45 g/mol
Exact Mass319.23
IUPAC NameN-tert-butyl-2-[methyl-[2-[methyl(1-phenylethyl)amino]acetyl]amino]acetamide
SMILESCC(c1ccccc1)N(C)CC(=O)N(C)CC(=O)NC(C)(C)C
InChIInChI=1S/C18H29N3O2/c1-14(15-10-8-7-9-11-15)20(5)13-17(23)21(6)12-16(22)19-18(2,3)4/h7-11,14H,12-13H2,1-6H3,(H,19,22)
InChIKeyHFGGCMLBWQAEDF-UHFFFAOYSA-N
XLogP2.05
TPSA52.65 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.45
LogP ≤ 52.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-tert-butyl-2-[[2-[1-(4-fluorophenyl)ethyl-methylamino]acetyl]-methylamino]acetamide
CID 51271531
N-tert-butyl-2-[[2-[1-(2,4-dichlorophenyl)ethyl-methylamino]acetyl]-methylamino]acetamide
CID 55568921
N-tert-butyl-2-[methylsulfonyl(1-phenylethyl)amino]acetamide
CID 113150856
N-tert-butyl-2-[1-(2-chlorophenyl)ethyl-methylamino]acetamide
CID 84831983
N-tert-butyl-2-[[(1R)-1-(2-chlorophenyl)ethyl]-methylamino]acetamide
CID 8767576
2-[methyl(1-phenylethyl)amino]-N-phenylacetamide
CID 47109719
N-tert-butyl-2-[[(2R)-2-hydroxy-2-phenylethyl]-methylamino]acetamide
CID 34900161
2-[(2-benzylsulfanylacetyl)-methylamino]-N-tert-butylacetamide
CID 8620942
2-[[2-(tert-butylamino)-2-oxoethyl]-methylamino]-N-(1-phenylbutyl)propanamide
CID 84832187
N-tert-butyl-2-[[2-[cyclopropyl-[(1S)-1-[3-(trifluoromethyl)phenyl]ethyl]amino]acetyl]-methylamino]acetamide
CID 52736270
N-tert-butyl-2-[[2-[cyclopropyl-[(1R)-1-[3-(trifluoromethyl)phenyl]ethyl]amino]acetyl]-methylamino]acetamide
CID 52736272
(2S)-2-[[2-(tert-butylamino)-2-oxoethyl]-methylamino]-N-(methylcarbamoyl)-2-phenylacetamide
CID 8767355

Frequently Asked Questions

What is the IUPAC name of N-tert-butyl-2-[methyl-[2-[methyl(1-phenylethyl)amino]acetyl]amino]acetamide?
The IUPAC name of N-tert-butyl-2-[methyl-[2-[methyl(1-phenylethyl)amino]acetyl]amino]acetamide (CID 51226996) is N-tert-butyl-2-[methyl-[2-[methyl(1-phenylethyl)amino]acetyl]amino]acetamide.
What is the SMILES notation for N-tert-butyl-2-[methyl-[2-[methyl(1-phenylethyl)amino]acetyl]amino]acetamide?
The canonical SMILES for N-tert-butyl-2-[methyl-[2-[methyl(1-phenylethyl)amino]acetyl]amino]acetamide is CC(c1ccccc1)N(C)CC(=O)N(C)CC(=O)NC(C)(C)C.
What is the InChIKey of N-tert-butyl-2-[methyl-[2-[methyl(1-phenylethyl)amino]acetyl]amino]acetamide?
The InChIKey is HFGGCMLBWQAEDF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H29N3O2/c1-14(15-10-8-7-9-11-15)20(5)13-17(23)21(6)12-16(22)19-18(2,3)4/h7-11,14H,12-13H2,1-6H3,(H,19,22).
What are the key properties of N-tert-butyl-2-[methyl-[2-[methyl(1-phenylethyl)amino]acetyl]amino]acetamide?
N-tert-butyl-2-[methyl-[2-[methyl(1-phenylethyl)amino]acetyl]amino]acetamide has a molecular weight of 319.45 g/mol, XLogP of 2.05, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-tert-butyl-2-[methyl-[2-[methyl(1-phenylethyl)amino]acetyl]amino]acetamide is sourced from PubChem (CID 51226996), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).