4-[(4-methoxy-2-propan-2-yloxybenzoyl)-methylamino]butanoic acid

C16H23NO5 — CID 120684507

IUPAC4-[(4-methoxy-2-propan-2-yloxybenzoyl)-methylamino]butanoic acid
SMILESCOc1ccc(C(=O)N(C)CCCC(=O)O)c(OC(C)C)c1
InChIInChI=1S/C16H23NO5/c1-11(2)22-14-10-12(21-4)7-8-13(14)16(20)17(3)9-5-6-15(18)19/h7-8,10-11H,5-6,9H2,1-4H3,(H,18,19)
InChIKeyYAAJLENZAFTIJK-UHFFFAOYSA-N
MW309.36 g/mol
LogP2.42
Rot. Bonds8

About 4-[(4-methoxy-2-propan-2-yloxybenzoyl)-methylamino]butanoic acid

4-[(4-methoxy-2-propan-2-yloxybenzoyl)-methylamino]butanoic acid (PubChem CID 120684507) has the molecular formula C16H23NO5 and a molecular weight of 309.36 g/mol. Its IUPAC name is 4-[(4-methoxy-2-propan-2-yloxybenzoyl)-methylamino]butanoic acid.

Molecular Properties

Compound Name4-[(4-methoxy-2-propan-2-yloxybenzoyl)-methylamino]butanoic acid
PubChem CID120684507
Molecular FormulaC16H23NO5
Molecular Weight309.36 g/mol
Exact Mass309.16
IUPAC Name4-[(4-methoxy-2-propan-2-yloxybenzoyl)-methylamino]butanoic acid
SMILESCOc1ccc(C(=O)N(C)CCCC(=O)O)c(OC(C)C)c1
InChIInChI=1S/C16H23NO5/c1-11(2)22-14-10-12(21-4)7-8-13(14)16(20)17(3)9-5-6-15(18)19/h7-8,10-11H,5-6,9H2,1-4H3,(H,18,19)
InChIKeyYAAJLENZAFTIJK-UHFFFAOYSA-N
XLogP2.42
TPSA76.07 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.36
LogP ≤ 52.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-[(4-bromo-2-methoxybenzoyl)-methylamino]butanoic acid
CID 81360925
3-[(2-iodo-4-methoxybenzoyl)-methylamino]propanoic acid
CID 119362866
4-[[5-(difluoromethoxy)-2-fluorobenzoyl]-methylamino]butanoic acid
CID 166253285
4-(2,4-dimethoxy-N-methylanilino)butanoic acid
CID 100521188
N-[3-(dimethylamino)propyl]-2-hydroxy-5-methoxy-N-methylbenzamide
CID 63699177
methyl 4-[(2-hydroxy-4-methoxybenzoyl)-methylamino]butanoate
CID 60715393
4-[(3-methoxypyridine-4-carbonyl)-methylamino]butanoic acid
CID 105063090
4-[(3-bromo-5-propan-2-yloxybenzoyl)-methylamino]butanoic acid
CID 119173132
4-[[2-(3-methoxyanilino)benzoyl]-methylamino]butanoic acid
CID 119173444
N-(1-aminopropan-2-yl)-2,4-dimethoxy-N-methylbenzamide
CID 112701391
4-(2,4-dimethoxy-N-propylanilino)butanoic acid
CID 100521291
4-[(2,4-dimethoxyphenyl)sulfonyl-methylamino]butanoic acid
CID 43238128

Frequently Asked Questions

What is the IUPAC name of 4-[(4-methoxy-2-propan-2-yloxybenzoyl)-methylamino]butanoic acid?
The IUPAC name of 4-[(4-methoxy-2-propan-2-yloxybenzoyl)-methylamino]butanoic acid (CID 120684507) is 4-[(4-methoxy-2-propan-2-yloxybenzoyl)-methylamino]butanoic acid.
What is the SMILES notation for 4-[(4-methoxy-2-propan-2-yloxybenzoyl)-methylamino]butanoic acid?
The canonical SMILES for 4-[(4-methoxy-2-propan-2-yloxybenzoyl)-methylamino]butanoic acid is COc1ccc(C(=O)N(C)CCCC(=O)O)c(OC(C)C)c1.
What is the InChIKey of 4-[(4-methoxy-2-propan-2-yloxybenzoyl)-methylamino]butanoic acid?
The InChIKey is YAAJLENZAFTIJK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23NO5/c1-11(2)22-14-10-12(21-4)7-8-13(14)16(20)17(3)9-5-6-15(18)19/h7-8,10-11H,5-6,9H2,1-4H3,(H,18,19).
What are the key properties of 4-[(4-methoxy-2-propan-2-yloxybenzoyl)-methylamino]butanoic acid?
4-[(4-methoxy-2-propan-2-yloxybenzoyl)-methylamino]butanoic acid has a molecular weight of 309.36 g/mol, XLogP of 2.42, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(4-methoxy-2-propan-2-yloxybenzoyl)-methylamino]butanoic acid is sourced from PubChem (CID 120684507), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).