4-amino-3-methoxy-N-(5-methoxy-2-propan-2-yloxyphenyl)butanamide

C15H24N2O4 — CID 120591665

IUPAC4-amino-3-methoxy-N-(5-methoxy-2-propan-2-yloxyphenyl)butanamide
SMILESCOc1ccc(OC(C)C)c(NC(=O)CC(CN)OC)c1
InChIInChI=1S/C15H24N2O4/c1-10(2)21-14-6-5-11(19-3)7-13(14)17-15(18)8-12(9-16)20-4/h5-7,10,12H,8-9,16H2,1-4H3,(H,17,18)
InChIKeyWMYWDHFDCRAAKF-UHFFFAOYSA-N
MW296.37 g/mol
LogP1.78
Rot. Bonds8

About 4-amino-3-methoxy-N-(5-methoxy-2-propan-2-yloxyphenyl)butanamide

4-amino-3-methoxy-N-(5-methoxy-2-propan-2-yloxyphenyl)butanamide (PubChem CID 120591665) has the molecular formula C15H24N2O4 and a molecular weight of 296.37 g/mol. Its IUPAC name is 4-amino-3-methoxy-N-(5-methoxy-2-propan-2-yloxyphenyl)butanamide.

Molecular Properties

Compound Name4-amino-3-methoxy-N-(5-methoxy-2-propan-2-yloxyphenyl)butanamide
PubChem CID120591665
Molecular FormulaC15H24N2O4
Molecular Weight296.37 g/mol
Exact Mass296.17
IUPAC Name4-amino-3-methoxy-N-(5-methoxy-2-propan-2-yloxyphenyl)butanamide
SMILESCOc1ccc(OC(C)C)c(NC(=O)CC(CN)OC)c1
InChIInChI=1S/C15H24N2O4/c1-10(2)21-14-6-5-11(19-3)7-13(14)17-15(18)8-12(9-16)20-4/h5-7,10,12H,8-9,16H2,1-4H3,(H,17,18)
InChIKeyWMYWDHFDCRAAKF-UHFFFAOYSA-N
XLogP1.78
TPSA82.81 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.37
LogP ≤ 51.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

4-amino-3-methoxy-N-(2,4,5-trimethoxyphenyl)butanamide
CID 120593617
2-[(4-amino-3-methoxybutanoyl)amino]-5-methoxy-N-methylbenzamide
CID 120591327
4-amino-N-[1-(2,5-dimethoxyphenyl)ethyl]-3-methoxybutanamide;hydrochloride
CID 120587300
2-amino-N-(5-methoxy-2-propan-2-yloxyphenyl)pentanamide;hydrochloride
CID 119318030
4-amino-3-methoxy-N-(3-methoxyphenyl)butanamide;hydrochloride
CID 120586371
N-(2,5-dimethoxyphenyl)-3-(ethylamino)butanamide
CID 60663324
4-amino-N-(4-chloro-2,5-dimethoxyphenyl)-3-methoxybutanamide;hydrochloride
CID 120586930
4-amino-3-methoxy-N-(2-propan-2-yloxy-3-pyridinyl)butanamide
CID 103155628
4-amino-N-[2-(2,5-dimethoxyphenyl)ethyl]-3-methoxybutanamide
CID 120587964
2-[(4-amino-3-methoxybutanoyl)amino]-N-(4-methoxyphenyl)benzamide;hydrochloride
CID 120586728
2-[(4-amino-3-methoxybutanoyl)amino]-N-(3-methoxyphenyl)benzamide;hydrochloride
CID 120586763
3-amino-N-(2,5-dimethoxyphenyl)-3-phenylpropanamide
CID 43822665

Frequently Asked Questions

What is the IUPAC name of 4-amino-3-methoxy-N-(5-methoxy-2-propan-2-yloxyphenyl)butanamide?
The IUPAC name of 4-amino-3-methoxy-N-(5-methoxy-2-propan-2-yloxyphenyl)butanamide (CID 120591665) is 4-amino-3-methoxy-N-(5-methoxy-2-propan-2-yloxyphenyl)butanamide.
What is the SMILES notation for 4-amino-3-methoxy-N-(5-methoxy-2-propan-2-yloxyphenyl)butanamide?
The canonical SMILES for 4-amino-3-methoxy-N-(5-methoxy-2-propan-2-yloxyphenyl)butanamide is COc1ccc(OC(C)C)c(NC(=O)CC(CN)OC)c1.
What is the InChIKey of 4-amino-3-methoxy-N-(5-methoxy-2-propan-2-yloxyphenyl)butanamide?
The InChIKey is WMYWDHFDCRAAKF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N2O4/c1-10(2)21-14-6-5-11(19-3)7-13(14)17-15(18)8-12(9-16)20-4/h5-7,10,12H,8-9,16H2,1-4H3,(H,17,18).
What are the key properties of 4-amino-3-methoxy-N-(5-methoxy-2-propan-2-yloxyphenyl)butanamide?
4-amino-3-methoxy-N-(5-methoxy-2-propan-2-yloxyphenyl)butanamide has a molecular weight of 296.37 g/mol, XLogP of 1.78, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-3-methoxy-N-(5-methoxy-2-propan-2-yloxyphenyl)butanamide is sourced from PubChem (CID 120591665), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).