2-(dimethylamino)ethyl (2R)-3-methyl-2-[(4-methylbenzoyl)amino]butanoate

C17H26N2O3 — CID 2469416

IUPAC2-(dimethylamino)ethyl (2R)-3-methyl-2-[(4-methylbenzoyl)amino]butanoate
SMILESCc1ccc(C(=O)N[C@@H](C(=O)OCCN(C)C)C(C)C)cc1
InChIInChI=1S/C17H26N2O3/c1-12(2)15(17(21)22-11-10-19(4)5)18-16(20)14-8-6-13(3)7-9-14/h6-9,12,15H,10-11H2,1-5H3,(H,18,20)/t15-/m1/s1
InChIKeyHAOZIBCRPGREQC-OAHLLOKOSA-N
MW306.41 g/mol
LogP1.85
Rot. Bonds7

About 2-(dimethylamino)ethyl (2R)-3-methyl-2-[(4-methylbenzoyl)amino]butanoate

2-(dimethylamino)ethyl (2R)-3-methyl-2-[(4-methylbenzoyl)amino]butanoate (PubChem CID 2469416) has the molecular formula C17H26N2O3 and a molecular weight of 306.41 g/mol. Its IUPAC name is 2-(dimethylamino)ethyl (2R)-3-methyl-2-[(4-methylbenzoyl)amino]butanoate.

Molecular Properties

Compound Name2-(dimethylamino)ethyl (2R)-3-methyl-2-[(4-methylbenzoyl)amino]butanoate
PubChem CID2469416
Molecular FormulaC17H26N2O3
Molecular Weight306.41 g/mol
Exact Mass306.19
IUPAC Name2-(dimethylamino)ethyl (2R)-3-methyl-2-[(4-methylbenzoyl)amino]butanoate
SMILESCc1ccc(C(=O)N[C@@H](C(=O)OCCN(C)C)C(C)C)cc1
InChIInChI=1S/C17H26N2O3/c1-12(2)15(17(21)22-11-10-19(4)5)18-16(20)14-8-6-13(3)7-9-14/h6-9,12,15H,10-11H2,1-5H3,(H,18,20)/t15-/m1/s1
InChIKeyHAOZIBCRPGREQC-OAHLLOKOSA-N
XLogP1.85
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.41
LogP ≤ 51.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 2-(dimethylamino)ethyl (2R)-3-methyl-2-[(4-methylbenzoyl)amino]butanoate with MolForge

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Related Compounds

benzyl 3-methyl-2-[(4-methylbenzoyl)amino]butanoate
CID 6711148
[2-[bis(2-cyanoethyl)amino]-2-oxoethyl] (2S)-3-methyl-2-[(4-methylbenzoyl)amino]butanoate
CID 29377218
(1-amino-1-oxopropan-2-yl) 3-methyl-2-[(4-methylbenzoyl)amino]butanoate
CID 3956797
[2-oxo-2-(4-sulfamoylanilino)ethyl] 3-methyl-2-[(4-methylbenzoyl)amino]butanoate
CID 55305619
2-(3-methylphenoxy)ethyl (2S)-2-[(4-methoxybenzoyl)amino]-3-methylbutanoate
CID 7568511
4-methyl-N-[(2S)-3-methyl-1-(5-methylhexan-2-ylamino)-1-oxobutan-2-yl]benzamide
CID 55944241
[2-[(4-methylphenyl)methylamino]-2-oxoethyl] (2S)-2-benzamido-3-methylbutanoate
CID 2582782
4-methyl-N-[3-methyl-1-[methyl(3-phenylpropyl)amino]-1-oxobutan-2-yl]benzamide
CID 55710345
[(2S)-1-(ethylcarbamoylamino)-1-oxopropan-2-yl] (2S)-3-methyl-2-[(4-methylbenzoyl)amino]butanoate
CID 51421726
[2-[3-(dimethylsulfamoyl)-4-methylanilino]-2-oxoethyl] 3-methyl-2-[(4-methylbenzoyl)amino]butanoate
CID 55305613
[2-(1,3-benzodioxol-5-ylamino)-2-oxoethyl] 3-methyl-2-[(4-methylbenzoyl)amino]butanoate
CID 4783320
N-[1-[(2-hydroxycyclopentyl)methyl-methylamino]-3-methyl-1-oxobutan-2-yl]-4-methylbenzamide
CID 109400064

Frequently Asked Questions

What is the IUPAC name of 2-(dimethylamino)ethyl (2R)-3-methyl-2-[(4-methylbenzoyl)amino]butanoate?
The IUPAC name of 2-(dimethylamino)ethyl (2R)-3-methyl-2-[(4-methylbenzoyl)amino]butanoate (CID 2469416) is 2-(dimethylamino)ethyl (2R)-3-methyl-2-[(4-methylbenzoyl)amino]butanoate.
What is the SMILES notation for 2-(dimethylamino)ethyl (2R)-3-methyl-2-[(4-methylbenzoyl)amino]butanoate?
The canonical SMILES for 2-(dimethylamino)ethyl (2R)-3-methyl-2-[(4-methylbenzoyl)amino]butanoate is Cc1ccc(C(=O)N[C@@H](C(=O)OCCN(C)C)C(C)C)cc1.
What is the InChIKey of 2-(dimethylamino)ethyl (2R)-3-methyl-2-[(4-methylbenzoyl)amino]butanoate?
The InChIKey is HAOZIBCRPGREQC-OAHLLOKOSA-N. The full InChI is InChI=1S/C17H26N2O3/c1-12(2)15(17(21)22-11-10-19(4)5)18-16(20)14-8-6-13(3)7-9-14/h6-9,12,15H,10-11H2,1-5H3,(H,18,20)/t15-/m1/s1.
What are the key properties of 2-(dimethylamino)ethyl (2R)-3-methyl-2-[(4-methylbenzoyl)amino]butanoate?
2-(dimethylamino)ethyl (2R)-3-methyl-2-[(4-methylbenzoyl)amino]butanoate has a molecular weight of 306.41 g/mol, XLogP of 1.85, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(dimethylamino)ethyl (2R)-3-methyl-2-[(4-methylbenzoyl)amino]butanoate is sourced from PubChem (CID 2469416), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).