2-[ethyl-[ethyl-(2-methylphenyl)carbamoyl]amino]acetic acid

C14H20N2O3 — CID 61184616

IUPAC2-[ethyl-[ethyl-(2-methylphenyl)carbamoyl]amino]acetic acid
SMILESCCN(CC(=O)O)C(=O)N(CC)c1ccccc1C
InChIInChI=1S/C14H20N2O3/c1-4-15(10-13(17)18)14(19)16(5-2)12-9-7-6-8-11(12)3/h6-9H,4-5,10H2,1-3H3,(H,17,18)
InChIKeyCAXDPRMZNHELMM-UHFFFAOYSA-N
MW264.32 g/mol
LogP2.35
Rot. Bonds5

About 2-[ethyl-[ethyl-(2-methylphenyl)carbamoyl]amino]acetic acid

2-[ethyl-[ethyl-(2-methylphenyl)carbamoyl]amino]acetic acid (PubChem CID 61184616) has the molecular formula C14H20N2O3 and a molecular weight of 264.32 g/mol. Its IUPAC name is 2-[ethyl-[ethyl-(2-methylphenyl)carbamoyl]amino]acetic acid.

Molecular Properties

Compound Name2-[ethyl-[ethyl-(2-methylphenyl)carbamoyl]amino]acetic acid
PubChem CID61184616
Molecular FormulaC14H20N2O3
Molecular Weight264.32 g/mol
Exact Mass264.15
IUPAC Name2-[ethyl-[ethyl-(2-methylphenyl)carbamoyl]amino]acetic acid
SMILESCCN(CC(=O)O)C(=O)N(CC)c1ccccc1C
InChIInChI=1S/C14H20N2O3/c1-4-15(10-13(17)18)14(19)16(5-2)12-9-7-6-8-11(12)3/h6-9H,4-5,10H2,1-3H3,(H,17,18)
InChIKeyCAXDPRMZNHELMM-UHFFFAOYSA-N
XLogP2.35
TPSA60.85 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.32
LogP ≤ 52.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-[[2-(N-ethyl-2-methylanilino)-2-oxoethyl]-methylamino]acetic acid
CID 43442470
2-[carboxymethyl-[methyl-(2-methylphenyl)carbamoyl]amino]acetic acid
CID 63644818
3-[[2-(N-ethyl-2-methylanilino)-2-oxoethyl]-methylamino]propanoic acid
CID 60987713
2-[N-(diethylcarbamoyl)anilino]acetic acid
CID 61187149
3-(N-ethyl-2-methylanilino)-2-methyl-3-oxopropanoic acid
CID 114896860
N,N'-diethyl-N,N'-bis(2-methylphenyl)-2-phenylpropanediamide
CID 3396233
5-(N-ethyl-2-methylanilino)-3,3-dimethyl-5-oxopentanoic acid
CID 62934041
2-(2-methyl-N-propylanilino)acetic acid
CID 83559835
2,2-dichloro-N-ethyl-N-(2-methylphenyl)acetamide
CID 3338024
N-ethyl-2,2-difluoro-N-(2-methylphenyl)acetamide
CID 103515266
3-bromo-N-ethyl-N-(2-methylphenyl)prop-2-ynamide
CID 130642345
2-[ethyl-(2-methylphenyl)carbamoyl]cyclopropane-1-carboxylic acid
CID 60791396

Frequently Asked Questions

What is the IUPAC name of 2-[ethyl-[ethyl-(2-methylphenyl)carbamoyl]amino]acetic acid?
The IUPAC name of 2-[ethyl-[ethyl-(2-methylphenyl)carbamoyl]amino]acetic acid (CID 61184616) is 2-[ethyl-[ethyl-(2-methylphenyl)carbamoyl]amino]acetic acid.
What is the SMILES notation for 2-[ethyl-[ethyl-(2-methylphenyl)carbamoyl]amino]acetic acid?
The canonical SMILES for 2-[ethyl-[ethyl-(2-methylphenyl)carbamoyl]amino]acetic acid is CCN(CC(=O)O)C(=O)N(CC)c1ccccc1C.
What is the InChIKey of 2-[ethyl-[ethyl-(2-methylphenyl)carbamoyl]amino]acetic acid?
The InChIKey is CAXDPRMZNHELMM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2O3/c1-4-15(10-13(17)18)14(19)16(5-2)12-9-7-6-8-11(12)3/h6-9H,4-5,10H2,1-3H3,(H,17,18).
What are the key properties of 2-[ethyl-[ethyl-(2-methylphenyl)carbamoyl]amino]acetic acid?
2-[ethyl-[ethyl-(2-methylphenyl)carbamoyl]amino]acetic acid has a molecular weight of 264.32 g/mol, XLogP of 2.35, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[ethyl-[ethyl-(2-methylphenyl)carbamoyl]amino]acetic acid is sourced from PubChem (CID 61184616), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).