2-[N-(diethylcarbamoyl)-4-methylanilino]acetic acid

C14H20N2O3 — CID 61186783

IUPAC2-[N-(diethylcarbamoyl)-4-methylanilino]acetic acid
SMILESCCN(CC)C(=O)N(CC(=O)O)c1ccc(C)cc1
InChIInChI=1S/C14H20N2O3/c1-4-15(5-2)14(19)16(10-13(17)18)12-8-6-11(3)7-9-12/h6-9H,4-5,10H2,1-3H3,(H,17,18)
InChIKeySWRDERGCVZRNFJ-UHFFFAOYSA-N
MW264.32 g/mol
LogP2.35
Rot. Bonds5

About 2-[N-(diethylcarbamoyl)-4-methylanilino]acetic acid

2-[N-(diethylcarbamoyl)-4-methylanilino]acetic acid (PubChem CID 61186783) has the molecular formula C14H20N2O3 and a molecular weight of 264.32 g/mol. Its IUPAC name is 2-[N-(diethylcarbamoyl)-4-methylanilino]acetic acid.

Molecular Properties

Compound Name2-[N-(diethylcarbamoyl)-4-methylanilino]acetic acid
PubChem CID61186783
Molecular FormulaC14H20N2O3
Molecular Weight264.32 g/mol
Exact Mass264.15
IUPAC Name2-[N-(diethylcarbamoyl)-4-methylanilino]acetic acid
SMILESCCN(CC)C(=O)N(CC(=O)O)c1ccc(C)cc1
InChIInChI=1S/C14H20N2O3/c1-4-15(5-2)14(19)16(10-13(17)18)12-8-6-11(3)7-9-12/h6-9H,4-5,10H2,1-3H3,(H,17,18)
InChIKeySWRDERGCVZRNFJ-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-[N-(diethylcarbamoyl)anilino]acetic acid
CID 61187149
2-(N-[2-(dimethylamino)ethyl-methylcarbamoyl]-4-methylanilino)acetic acid
CID 63700444
2-(N-[cyclopropyl(ethyl)carbamoyl]-4-methylanilino)acetic acid
CID 61194123
2-[[ethyl-(4-methylphenyl)carbamoyl]-propan-2-ylamino]acetic acid
CID 62003076
2-(N-[ethyl(2-methylpropyl)carbamoyl]anilino)acetic acid
CID 61199656
3-[N-(diethylcarbamoyl)anilino]propanoic acid
CID 61186963
2-(N-(2,2-difluoroacetyl)-4-methylanilino)acetic acid
CID 103513169
2-[N-(2-aminobutanoyl)-4-methylanilino]acetic acid
CID 61161641
2-(4-chloro-N-[ethyl(2-methoxyethyl)carbamoyl]anilino)acetic acid
CID 61447818
2-(N-[(E)-but-2-enoyl]-4-methylanilino)acetic acid
CID 54926318
2-[N-[bis(2-hydroxyethyl)carbamoyl]-4-hydroxyanilino]acetic acid
CID 61235432
1-(3-aminopropyl)-3,3-diethyl-1-(4-fluorophenyl)urea
CID 79154007

Frequently Asked Questions

What is the IUPAC name of 2-[N-(diethylcarbamoyl)-4-methylanilino]acetic acid?
The IUPAC name of 2-[N-(diethylcarbamoyl)-4-methylanilino]acetic acid (CID 61186783) is 2-[N-(diethylcarbamoyl)-4-methylanilino]acetic acid.
What is the SMILES notation for 2-[N-(diethylcarbamoyl)-4-methylanilino]acetic acid?
The canonical SMILES for 2-[N-(diethylcarbamoyl)-4-methylanilino]acetic acid is CCN(CC)C(=O)N(CC(=O)O)c1ccc(C)cc1.
What is the InChIKey of 2-[N-(diethylcarbamoyl)-4-methylanilino]acetic acid?
The InChIKey is SWRDERGCVZRNFJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2O3/c1-4-15(5-2)14(19)16(10-13(17)18)12-8-6-11(3)7-9-12/h6-9H,4-5,10H2,1-3H3,(H,17,18).
What are the key properties of 2-[N-(diethylcarbamoyl)-4-methylanilino]acetic acid?
2-[N-(diethylcarbamoyl)-4-methylanilino]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-[N-(diethylcarbamoyl)-4-methylanilino]acetic acid is sourced from PubChem (CID 61186783), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).