2-amino-N-(2-amino-2-oxoethyl)-2-(4-methylphenyl)-N-(2-methylpropyl)acetamide

C15H23N3O2 — CID 106312194

IUPAC2-amino-N-(2-amino-2-oxoethyl)-2-(4-methylphenyl)-N-(2-methylpropyl)acetamide
SMILESCc1ccc(C(N)C(=O)N(CC(N)=O)CC(C)C)cc1
InChIInChI=1S/C15H23N3O2/c1-10(2)8-18(9-13(16)19)15(20)14(17)12-6-4-11(3)5-7-12/h4-7,10,14H,8-9,17H2,1-3H3,(H2,16,19)
InChIKeyLFJPKUHHHXOXPQ-UHFFFAOYSA-N
MW277.37 g/mol
LogP0.96
Rot. Bonds6

About 2-amino-N-(2-amino-2-oxoethyl)-2-(4-methylphenyl)-N-(2-methylpropyl)acetamide

2-amino-N-(2-amino-2-oxoethyl)-2-(4-methylphenyl)-N-(2-methylpropyl)acetamide (PubChem CID 106312194) has the molecular formula C15H23N3O2 and a molecular weight of 277.37 g/mol. Its IUPAC name is 2-amino-N-(2-amino-2-oxoethyl)-2-(4-methylphenyl)-N-(2-methylpropyl)acetamide.

Molecular Properties

Compound Name2-amino-N-(2-amino-2-oxoethyl)-2-(4-methylphenyl)-N-(2-methylpropyl)acetamide
PubChem CID106312194
Molecular FormulaC15H23N3O2
Molecular Weight277.37 g/mol
Exact Mass277.18
IUPAC Name2-amino-N-(2-amino-2-oxoethyl)-2-(4-methylphenyl)-N-(2-methylpropyl)acetamide
SMILESCc1ccc(C(N)C(=O)N(CC(N)=O)CC(C)C)cc1
InChIInChI=1S/C15H23N3O2/c1-10(2)8-18(9-13(16)19)15(20)14(17)12-6-4-11(3)5-7-12/h4-7,10,14H,8-9,17H2,1-3H3,(H2,16,19)
InChIKeyLFJPKUHHHXOXPQ-UHFFFAOYSA-N
XLogP0.96
TPSA89.42 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.37
LogP ≤ 50.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-amino-N-(2-amino-2-oxoethyl)-N-(2-methylpropyl)-2-thiophen-2-ylacetamide
CID 115286709
(2S)-2-amino-N,N-bis(2-methylpropyl)-2-phenylacetamide
CID 104897188
2-amino-N-butan-2-yl-N-ethyl-2-(4-methylphenyl)acetamide
CID 106312072
2-amino-N-methyl-N-(2-methylbutyl)-2-(4-methylphenyl)acetamide
CID 106151480
2-amino-N,N-bis(cyanomethyl)-2-(4-methylphenyl)acetamide
CID 106312020
2-amino-N-methyl-N-(2-methylbutyl)-2-(4-methylphenyl)acetamide;hydrochloride
CID 120668393
2-amino-N-methyl-2-(4-methylphenyl)-N-pentan-3-ylacetamide
CID 114172087
2-amino-N,N-bis(2-methoxyethyl)-2-(4-methylphenyl)acetamide;hydrochloride
CID 120666531
2-amino-N-ethyl-2-(4-methylphenyl)-N-prop-2-ynylacetamide
CID 114172115
(2S)-2-amino-N-(2-amino-2-oxoethyl)-3-(4-hydroxyphenyl)-N-(2-methylpropyl)propanamide
CID 61163222
2-amino-N-(2-amino-2-oxoethyl)-N-butyl-2-phenylacetamide
CID 60946442
2-amino-N-(2-amino-2-oxoethyl)-N-(2-methylpropyl)pentanamide;hydrochloride
CID 119292364

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-(2-amino-2-oxoethyl)-2-(4-methylphenyl)-N-(2-methylpropyl)acetamide?
The IUPAC name of 2-amino-N-(2-amino-2-oxoethyl)-2-(4-methylphenyl)-N-(2-methylpropyl)acetamide (CID 106312194) is 2-amino-N-(2-amino-2-oxoethyl)-2-(4-methylphenyl)-N-(2-methylpropyl)acetamide.
What is the SMILES notation for 2-amino-N-(2-amino-2-oxoethyl)-2-(4-methylphenyl)-N-(2-methylpropyl)acetamide?
The canonical SMILES for 2-amino-N-(2-amino-2-oxoethyl)-2-(4-methylphenyl)-N-(2-methylpropyl)acetamide is Cc1ccc(C(N)C(=O)N(CC(N)=O)CC(C)C)cc1.
What is the InChIKey of 2-amino-N-(2-amino-2-oxoethyl)-2-(4-methylphenyl)-N-(2-methylpropyl)acetamide?
The InChIKey is LFJPKUHHHXOXPQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23N3O2/c1-10(2)8-18(9-13(16)19)15(20)14(17)12-6-4-11(3)5-7-12/h4-7,10,14H,8-9,17H2,1-3H3,(H2,16,19).
What are the key properties of 2-amino-N-(2-amino-2-oxoethyl)-2-(4-methylphenyl)-N-(2-methylpropyl)acetamide?
2-amino-N-(2-amino-2-oxoethyl)-2-(4-methylphenyl)-N-(2-methylpropyl)acetamide has a molecular weight of 277.37 g/mol, XLogP of 0.96, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-(2-amino-2-oxoethyl)-2-(4-methylphenyl)-N-(2-methylpropyl)acetamide is sourced from PubChem (CID 106312194), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).