2-[[2-[4-[[2-(3,3-dimethylbutanoylamino)acetyl]amino]phenyl]acetyl]amino]acetic acid

C18H25N3O5 — CID 119224549

IUPAC2-[[2-[4-[[2-(3,3-dimethylbutanoylamino)acetyl]amino]phenyl]acetyl]amino]acetic acid
SMILESCC(C)(C)CC(=O)NCC(=O)Nc1ccc(CC(=O)NCC(=O)O)cc1
InChIInChI=1S/C18H25N3O5/c1-18(2,3)9-15(23)19-10-16(24)21-13-6-4-12(5-7-13)8-14(22)20-11-17(25)26/h4-7H,8-11H2,1-3H3,(H,19,23)(H,20,22)(H,21,24)(H,25,26)
InChIKeyYCYDHKMYHYAZMO-UHFFFAOYSA-N
MW363.41 g/mol
LogP0.92
Rot. Bonds8

About 2-[[2-[4-[[2-(3,3-dimethylbutanoylamino)acetyl]amino]phenyl]acetyl]amino]acetic acid

2-[[2-[4-[[2-(3,3-dimethylbutanoylamino)acetyl]amino]phenyl]acetyl]amino]acetic acid (PubChem CID 119224549) has the molecular formula C18H25N3O5 and a molecular weight of 363.41 g/mol. Its IUPAC name is 2-[[2-[4-[[2-(3,3-dimethylbutanoylamino)acetyl]amino]phenyl]acetyl]amino]acetic acid.

Molecular Properties

Compound Name2-[[2-[4-[[2-(3,3-dimethylbutanoylamino)acetyl]amino]phenyl]acetyl]amino]acetic acid
PubChem CID119224549
Molecular FormulaC18H25N3O5
Molecular Weight363.41 g/mol
Exact Mass363.18
IUPAC Name2-[[2-[4-[[2-(3,3-dimethylbutanoylamino)acetyl]amino]phenyl]acetyl]amino]acetic acid
SMILESCC(C)(C)CC(=O)NCC(=O)Nc1ccc(CC(=O)NCC(=O)O)cc1
InChIInChI=1S/C18H25N3O5/c1-18(2,3)9-15(23)19-10-16(24)21-13-6-4-12(5-7-13)8-14(22)20-11-17(25)26/h4-7H,8-11H2,1-3H3,(H,19,23)(H,20,22)(H,21,24)(H,25,26)
InChIKeyYCYDHKMYHYAZMO-UHFFFAOYSA-N
XLogP0.92
TPSA124.60 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.41
LogP ≤ 50.92
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Analyze 2-[[2-[4-[[2-(3,3-dimethylbutanoylamino)acetyl]amino]phenyl]acetyl]amino]acetic acid with MolForge

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Related Compounds

3,3-dimethyl-N-[2-oxo-2-[4-(propanoylamino)anilino]ethyl]butanamide
CID 51091817
2-[[2-[4-[(2-methoxyacetyl)amino]phenyl]acetyl]amino]acetic acid
CID 119224391
N-[2-(4-tert-butylanilino)-2-oxoethyl]-2-phenylacetamide
CID 27258908
3,3-dimethyl-N-[2-oxo-2-[4-(trifluoromethyl)anilino]ethyl]butanamide
CID 60565839
2-[[2-[4-[[2-methyl-2-(2-methylphenyl)propanoyl]amino]phenyl]acetyl]amino]acetic acid
CID 119224485
N-[2-(4-methoxyanilino)-2-oxoethyl]-2-(4-methoxyphenyl)acetamide
CID 112998708
N-[2-(4-acetamidoanilino)-2-oxoethyl]-2-(4-chlorophenyl)acetamide
CID 112999737
2-(4-bromophenyl)-N-[2-(4-methylanilino)-2-oxoethyl]acetamide
CID 112996188
N-[2-(4-chloroanilino)-2-oxoethyl]-2-(4-methylphenyl)acetamide
CID 112997921
2-[[2-[4-[[2-(3,4-dimethoxyphenyl)acetyl]amino]phenyl]acetyl]amino]acetic acid
CID 119224501
2-(4-bromophenyl)-N-[2-(4-ethylanilino)-2-oxoethyl]acetamide
CID 112996813
2-(4-chlorophenyl)-N-[2-(4-ethylanilino)-2-oxoethyl]acetamide
CID 112996792

Frequently Asked Questions

What is the IUPAC name of 2-[[2-[4-[[2-(3,3-dimethylbutanoylamino)acetyl]amino]phenyl]acetyl]amino]acetic acid?
The IUPAC name of 2-[[2-[4-[[2-(3,3-dimethylbutanoylamino)acetyl]amino]phenyl]acetyl]amino]acetic acid (CID 119224549) is 2-[[2-[4-[[2-(3,3-dimethylbutanoylamino)acetyl]amino]phenyl]acetyl]amino]acetic acid.
What is the SMILES notation for 2-[[2-[4-[[2-(3,3-dimethylbutanoylamino)acetyl]amino]phenyl]acetyl]amino]acetic acid?
The canonical SMILES for 2-[[2-[4-[[2-(3,3-dimethylbutanoylamino)acetyl]amino]phenyl]acetyl]amino]acetic acid is CC(C)(C)CC(=O)NCC(=O)Nc1ccc(CC(=O)NCC(=O)O)cc1.
What is the InChIKey of 2-[[2-[4-[[2-(3,3-dimethylbutanoylamino)acetyl]amino]phenyl]acetyl]amino]acetic acid?
The InChIKey is YCYDHKMYHYAZMO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25N3O5/c1-18(2,3)9-15(23)19-10-16(24)21-13-6-4-12(5-7-13)8-14(22)20-11-17(25)26/h4-7H,8-11H2,1-3H3,(H,19,23)(H,20,22)(H,21,24)(H,25,26).
What are the key properties of 2-[[2-[4-[[2-(3,3-dimethylbutanoylamino)acetyl]amino]phenyl]acetyl]amino]acetic acid?
2-[[2-[4-[[2-(3,3-dimethylbutanoylamino)acetyl]amino]phenyl]acetyl]amino]acetic acid has a molecular weight of 363.41 g/mol, XLogP of 0.92, 8 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-[4-[[2-(3,3-dimethylbutanoylamino)acetyl]amino]phenyl]acetyl]amino]acetic acid is sourced from PubChem (CID 119224549), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).