4-[[2-(ethylamino)-2-methylpropanoyl]amino]-3-methylbenzoic acid

C14H20N2O3 — CID 62834340

IUPAC4-[[2-(ethylamino)-2-methylpropanoyl]amino]-3-methylbenzoic acid
SMILESCCNC(C)(C)C(=O)Nc1ccc(C(=O)O)cc1C
InChIInChI=1S/C14H20N2O3/c1-5-15-14(3,4)13(19)16-11-7-6-10(12(17)18)8-9(11)2/h6-8,15H,5H2,1-4H3,(H,16,19)(H,17,18)
InChIKeySISCNTIVDPCIDZ-UHFFFAOYSA-N
MW264.32 g/mol
LogP2.02
Rot. Bonds5

About 4-[[2-(ethylamino)-2-methylpropanoyl]amino]-3-methylbenzoic acid

4-[[2-(ethylamino)-2-methylpropanoyl]amino]-3-methylbenzoic acid (PubChem CID 62834340) has the molecular formula C14H20N2O3 and a molecular weight of 264.32 g/mol. Its IUPAC name is 4-[[2-(ethylamino)-2-methylpropanoyl]amino]-3-methylbenzoic acid.

Molecular Properties

Compound Name4-[[2-(ethylamino)-2-methylpropanoyl]amino]-3-methylbenzoic acid
PubChem CID62834340
Molecular FormulaC14H20N2O3
Molecular Weight264.32 g/mol
Exact Mass264.15
IUPAC Name4-[[2-(ethylamino)-2-methylpropanoyl]amino]-3-methylbenzoic acid
SMILESCCNC(C)(C)C(=O)Nc1ccc(C(=O)O)cc1C
InChIInChI=1S/C14H20N2O3/c1-5-15-14(3,4)13(19)16-11-7-6-10(12(17)18)8-9(11)2/h6-8,15H,5H2,1-4H3,(H,16,19)(H,17,18)
InChIKeySISCNTIVDPCIDZ-UHFFFAOYSA-N
XLogP2.02
TPSA78.43 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.32
LogP ≤ 52.02
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

3-methyl-4-[[2-methyl-2-(methylamino)propanoyl]amino]benzoic acid
CID 62845966
N-[4-(dimethylamino)-2-methylphenyl]-2-(ethylamino)-2-methylpropanamide
CID 62833572
4-[(2-amino-2-ethylbutanoyl)amino]-3-methylbenzoic acid
CID 79810418
4-[(3-chloro-2,2-dimethylpropanoyl)amino]-3-methylbenzoic acid
CID 55245426
2-(ethylamino)-2-methyl-N-(2-methyl-4-propan-2-yloxyphenyl)propanamide
CID 62836240
N-ethyl-3-methyl-4-[[2-methyl-2-(methylamino)propanoyl]amino]benzamide
CID 62848154
2-[[2-(ethylamino)-2-methylpropanoyl]amino]-5-iodobenzoic acid
CID 63111693
4-(2-aminobutanoylamino)-3-methylbenzoic acid
CID 43714054
4-[[(2R)-2-aminobutanoyl]amino]-3-methylbenzoic acid
CID 79024587
N-(2,5-dichloro-4-methylphenyl)-2-(ethylamino)-2-methylpropanamide
CID 104727045
4-(2,2-dimethylbutylamino)-3-methylbenzoic acid
CID 103462028
3-methyl-4-(propylcarbamoylamino)benzoic acid
CID 28785867

Frequently Asked Questions

What is the IUPAC name of 4-[[2-(ethylamino)-2-methylpropanoyl]amino]-3-methylbenzoic acid?
The IUPAC name of 4-[[2-(ethylamino)-2-methylpropanoyl]amino]-3-methylbenzoic acid (CID 62834340) is 4-[[2-(ethylamino)-2-methylpropanoyl]amino]-3-methylbenzoic acid.
What is the SMILES notation for 4-[[2-(ethylamino)-2-methylpropanoyl]amino]-3-methylbenzoic acid?
The canonical SMILES for 4-[[2-(ethylamino)-2-methylpropanoyl]amino]-3-methylbenzoic acid is CCNC(C)(C)C(=O)Nc1ccc(C(=O)O)cc1C.
What is the InChIKey of 4-[[2-(ethylamino)-2-methylpropanoyl]amino]-3-methylbenzoic acid?
The InChIKey is SISCNTIVDPCIDZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2O3/c1-5-15-14(3,4)13(19)16-11-7-6-10(12(17)18)8-9(11)2/h6-8,15H,5H2,1-4H3,(H,16,19)(H,17,18).
What are the key properties of 4-[[2-(ethylamino)-2-methylpropanoyl]amino]-3-methylbenzoic acid?
4-[[2-(ethylamino)-2-methylpropanoyl]amino]-3-methylbenzoic acid has a molecular weight of 264.32 g/mol, XLogP of 2.02, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[2-(ethylamino)-2-methylpropanoyl]amino]-3-methylbenzoic acid is sourced from PubChem (CID 62834340), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).