2-[ethyl-[2-(N-methylanilino)-2-oxoethyl]amino]-2-methylpropanoic acid

C15H22N2O3 — CID 62821021

IUPAC2-[ethyl-[2-(N-methylanilino)-2-oxoethyl]amino]-2-methylpropanoic acid
SMILESCCN(CC(=O)N(C)c1ccccc1)C(C)(C)C(=O)O
InChIInChI=1S/C15H22N2O3/c1-5-17(15(2,3)14(19)20)11-13(18)16(4)12-9-7-6-8-10-12/h6-10H,5,11H2,1-4H3,(H,19,20)
InChIKeyHWBNXSLRSMPZPP-UHFFFAOYSA-N
MW278.35 g/mol
LogP1.83
Rot. Bonds6

About 2-[ethyl-[2-(N-methylanilino)-2-oxoethyl]amino]-2-methylpropanoic acid

2-[ethyl-[2-(N-methylanilino)-2-oxoethyl]amino]-2-methylpropanoic acid (PubChem CID 62821021) has the molecular formula C15H22N2O3 and a molecular weight of 278.35 g/mol. Its IUPAC name is 2-[ethyl-[2-(N-methylanilino)-2-oxoethyl]amino]-2-methylpropanoic acid.

Molecular Properties

Compound Name2-[ethyl-[2-(N-methylanilino)-2-oxoethyl]amino]-2-methylpropanoic acid
PubChem CID62821021
Molecular FormulaC15H22N2O3
Molecular Weight278.35 g/mol
Exact Mass278.16
IUPAC Name2-[ethyl-[2-(N-methylanilino)-2-oxoethyl]amino]-2-methylpropanoic acid
SMILESCCN(CC(=O)N(C)c1ccccc1)C(C)(C)C(=O)O
InChIInChI=1S/C15H22N2O3/c1-5-17(15(2,3)14(19)20)11-13(18)16(4)12-9-7-6-8-10-12/h6-10H,5,11H2,1-4H3,(H,19,20)
InChIKeyHWBNXSLRSMPZPP-UHFFFAOYSA-N
XLogP1.83
TPSA60.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.35
LogP ≤ 51.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-methyl-2-[methyl-[2-(N-methylanilino)-2-oxoethyl]amino]propanoic acid
CID 62822694
2-[tert-butyl-[2-(N-methylanilino)-2-oxoethyl]amino]acetic acid
CID 79269292
2-[methyl-[2-(N-methylanilino)-2-oxoethyl]amino]acetic acid
CID 43442375
2-[ethyl-(2-hydroxy-2-phenylpropyl)amino]-2-methylpropanoic acid
CID 62820426
N,4,4-trimethyl-3-oxo-N-phenylpentanamide
CID 134872382
2-[ethyl-[2-[methyl-[(5-methylfuran-2-yl)methyl]amino]-2-oxoethyl]amino]-2-methylpropanoic acid
CID 62821164
2-methyl-2-[2-(N-methylanilino)-2-oxoethyl]sulfanylpropanoic acid
CID 81222480
2-[[2-[(5-chlorothiophen-2-yl)methyl-methylamino]-2-oxoethyl]-ethylamino]-2-methylpropanoic acid
CID 62820318
2-tert-butylsulfanyl-N-methyl-N-phenylacetamide
CID 23518875
2-[bis(2-chloroethyl)amino]-N-methyl-N-phenylacetamide
CID 15344
3-hydroxy-N-methyl-N-phenylpropanamide
CID 82111467
2-[[2-[(2-chlorophenyl)methylamino]-2-oxoethyl]-ethylamino]-2-methylpropanoic acid
CID 62821190

Frequently Asked Questions

What is the IUPAC name of 2-[ethyl-[2-(N-methylanilino)-2-oxoethyl]amino]-2-methylpropanoic acid?
The IUPAC name of 2-[ethyl-[2-(N-methylanilino)-2-oxoethyl]amino]-2-methylpropanoic acid (CID 62821021) is 2-[ethyl-[2-(N-methylanilino)-2-oxoethyl]amino]-2-methylpropanoic acid.
What is the SMILES notation for 2-[ethyl-[2-(N-methylanilino)-2-oxoethyl]amino]-2-methylpropanoic acid?
The canonical SMILES for 2-[ethyl-[2-(N-methylanilino)-2-oxoethyl]amino]-2-methylpropanoic acid is CCN(CC(=O)N(C)c1ccccc1)C(C)(C)C(=O)O.
What is the InChIKey of 2-[ethyl-[2-(N-methylanilino)-2-oxoethyl]amino]-2-methylpropanoic acid?
The InChIKey is HWBNXSLRSMPZPP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2O3/c1-5-17(15(2,3)14(19)20)11-13(18)16(4)12-9-7-6-8-10-12/h6-10H,5,11H2,1-4H3,(H,19,20).
What are the key properties of 2-[ethyl-[2-(N-methylanilino)-2-oxoethyl]amino]-2-methylpropanoic acid?
2-[ethyl-[2-(N-methylanilino)-2-oxoethyl]amino]-2-methylpropanoic acid has a molecular weight of 278.35 g/mol, XLogP of 1.83, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[ethyl-[2-(N-methylanilino)-2-oxoethyl]amino]-2-methylpropanoic acid is sourced from PubChem (CID 62821021), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).