2-(N-[2-(dimethylamino)ethyl-methylcarbamoyl]-4-methylanilino)acetic acid

C15H23N3O3 — CID 63700444

IUPAC2-(N-[2-(dimethylamino)ethyl-methylcarbamoyl]-4-methylanilino)acetic acid
SMILESCc1ccc(N(CC(=O)O)C(=O)N(C)CCN(C)C)cc1
InChIInChI=1S/C15H23N3O3/c1-12-5-7-13(8-6-12)18(11-14(19)20)15(21)17(4)10-9-16(2)3/h5-8H,9-11H2,1-4H3,(H,19,20)
InChIKeyZIWLRYFBAHHVGM-UHFFFAOYSA-N
MW293.37 g/mol
LogP1.50
Rot. Bonds6

About 2-(N-[2-(dimethylamino)ethyl-methylcarbamoyl]-4-methylanilino)acetic acid

2-(N-[2-(dimethylamino)ethyl-methylcarbamoyl]-4-methylanilino)acetic acid (PubChem CID 63700444) has the molecular formula C15H23N3O3 and a molecular weight of 293.37 g/mol. Its IUPAC name is 2-(N-[2-(dimethylamino)ethyl-methylcarbamoyl]-4-methylanilino)acetic acid.

Molecular Properties

Compound Name2-(N-[2-(dimethylamino)ethyl-methylcarbamoyl]-4-methylanilino)acetic acid
PubChem CID63700444
Molecular FormulaC15H23N3O3
Molecular Weight293.37 g/mol
Exact Mass293.17
IUPAC Name2-(N-[2-(dimethylamino)ethyl-methylcarbamoyl]-4-methylanilino)acetic acid
SMILESCc1ccc(N(CC(=O)O)C(=O)N(C)CCN(C)C)cc1
InChIInChI=1S/C15H23N3O3/c1-12-5-7-13(8-6-12)18(11-14(19)20)15(21)17(4)10-9-16(2)3/h5-8H,9-11H2,1-4H3,(H,19,20)
InChIKeyZIWLRYFBAHHVGM-UHFFFAOYSA-N
XLogP1.50
TPSA64.09 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.37
LogP ≤ 51.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[N-(diethylcarbamoyl)-4-methylanilino]acetic acid
CID 61186783
3-(N-[(2-amino-2-oxoethyl)-methylcarbamoyl]-4-methylanilino)propanoic acid
CID 61199181
2-(N-[cyclopropyl(ethyl)carbamoyl]-4-methylanilino)acetic acid
CID 61194123
3-(4-methyl-N-[methyl(2-methylpropyl)carbamoyl]anilino)propanoic acid
CID 61196438
3-(N-[2-hydroxypropyl(methyl)carbamoyl]-4-methylanilino)propanoic acid
CID 62338364
2-(N-(2,2-difluoroacetyl)-4-methylanilino)acetic acid
CID 103513169
2-[N-(3-aminopropyl)-4-methylanilino]acetic acid
CID 63654241
2-(N-[(E)-but-2-enoyl]-4-methylanilino)acetic acid
CID 54926318
2-(N-[(2S)-2-amino-3,3-dimethylbutanoyl]-4-methylanilino)acetic acid
CID 61160496
2-(N-[benzyl(propan-2-yl)carbamoyl]-4-methylanilino)acetic acid
CID 113226359
3-(N-(2-aminoacetyl)-4-methylanilino)propanoic acid
CID 61161445
2-[N-(2-aminobutanoyl)-4-methylanilino]acetic acid
CID 61161641

Frequently Asked Questions

What is the IUPAC name of 2-(N-[2-(dimethylamino)ethyl-methylcarbamoyl]-4-methylanilino)acetic acid?
The IUPAC name of 2-(N-[2-(dimethylamino)ethyl-methylcarbamoyl]-4-methylanilino)acetic acid (CID 63700444) is 2-(N-[2-(dimethylamino)ethyl-methylcarbamoyl]-4-methylanilino)acetic acid.
What is the SMILES notation for 2-(N-[2-(dimethylamino)ethyl-methylcarbamoyl]-4-methylanilino)acetic acid?
The canonical SMILES for 2-(N-[2-(dimethylamino)ethyl-methylcarbamoyl]-4-methylanilino)acetic acid is Cc1ccc(N(CC(=O)O)C(=O)N(C)CCN(C)C)cc1.
What is the InChIKey of 2-(N-[2-(dimethylamino)ethyl-methylcarbamoyl]-4-methylanilino)acetic acid?
The InChIKey is ZIWLRYFBAHHVGM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23N3O3/c1-12-5-7-13(8-6-12)18(11-14(19)20)15(21)17(4)10-9-16(2)3/h5-8H,9-11H2,1-4H3,(H,19,20).
What are the key properties of 2-(N-[2-(dimethylamino)ethyl-methylcarbamoyl]-4-methylanilino)acetic acid?
2-(N-[2-(dimethylamino)ethyl-methylcarbamoyl]-4-methylanilino)acetic acid has a molecular weight of 293.37 g/mol, XLogP of 1.50, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(N-[2-(dimethylamino)ethyl-methylcarbamoyl]-4-methylanilino)acetic acid is sourced from PubChem (CID 63700444), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).