4-[(2-cyclopentyloxy-4-methoxyphenyl)methylamino]-2,2-dimethyl-4-oxobutanoic acid

C19H27NO5 — CID 119142062

IUPAC4-[(2-cyclopentyloxy-4-methoxyphenyl)methylamino]-2,2-dimethyl-4-oxobutanoic acid
SMILESCOc1ccc(CNC(=O)CC(C)(C)C(=O)O)c(OC2CCCC2)c1
InChIInChI=1S/C19H27NO5/c1-19(2,18(22)23)11-17(21)20-12-13-8-9-15(24-3)10-16(13)25-14-6-4-5-7-14/h8-10,14H,4-7,11-12H2,1-3H3,(H,20,21)(H,22,23)
InChIKeyAOMWSDJGEVMREM-UHFFFAOYSA-N
MW349.43 g/mol
LogP3.13
Rot. Bonds8

About 4-[(2-cyclopentyloxy-4-methoxyphenyl)methylamino]-2,2-dimethyl-4-oxobutanoic acid

4-[(2-cyclopentyloxy-4-methoxyphenyl)methylamino]-2,2-dimethyl-4-oxobutanoic acid (PubChem CID 119142062) has the molecular formula C19H27NO5 and a molecular weight of 349.43 g/mol. Its IUPAC name is 4-[(2-cyclopentyloxy-4-methoxyphenyl)methylamino]-2,2-dimethyl-4-oxobutanoic acid.

Molecular Properties

Compound Name4-[(2-cyclopentyloxy-4-methoxyphenyl)methylamino]-2,2-dimethyl-4-oxobutanoic acid
PubChem CID119142062
Molecular FormulaC19H27NO5
Molecular Weight349.43 g/mol
Exact Mass349.19
IUPAC Name4-[(2-cyclopentyloxy-4-methoxyphenyl)methylamino]-2,2-dimethyl-4-oxobutanoic acid
SMILESCOc1ccc(CNC(=O)CC(C)(C)C(=O)O)c(OC2CCCC2)c1
InChIInChI=1S/C19H27NO5/c1-19(2,18(22)23)11-17(21)20-12-13-8-9-15(24-3)10-16(13)25-14-6-4-5-7-14/h8-10,14H,4-7,11-12H2,1-3H3,(H,20,21)(H,22,23)
InChIKeyAOMWSDJGEVMREM-UHFFFAOYSA-N
XLogP3.13
TPSA84.86 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.43
LogP ≤ 53.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-amino-N-[(2-cyclopentyloxy-4-methoxyphenyl)methyl]-2-phenylpropanamide
CID 120593283
N-[(2-cyclopentyloxy-4-methoxyphenyl)methyl]-4-(methylamino)butanamide;hydrochloride
CID 119802521
3-amino-N-[(2-cyclopentyloxy-4-methoxyphenyl)methyl]-3-phenylpropanamide
CID 119952019
N-[(2-cyclopentyloxy-4-methoxyphenyl)methyl]prop-2-enamide
CID 146107018
2-(cyclopentylamino)-N-[(2,4-dimethoxyphenyl)methyl]acetamide
CID 63362881
N-[(2-cyclohexyloxy-4-methoxyphenyl)methyl]-2-methylpropan-2-amine
CID 63056453
1-amino-N-[(2-cyclopentyloxy-4-methoxyphenyl)methyl]cyclohexane-1-carboxamide;hydrochloride
CID 119334428
2-amino-N-[(2-cyclopentyloxy-4-methoxyphenyl)methyl]-2-phenylacetamide;hydrochloride
CID 119334420
N-[(2-cyclopentyloxy-4-methoxyphenyl)methyl]pyrrolidine-2-carboxamide;hydrochloride
CID 119334414
(2S)-2-amino-N-[(2-cyclopentyloxy-4-methoxyphenyl)methyl]-4-methylpentanamide;hydrochloride
CID 119802569
(E)-N-[(2-cyclopentyloxy-4-methoxyphenyl)methyl]-4-(dimethylamino)but-2-enamide
CID 146101068
N-[(2-cyclopentyloxy-4-methoxyphenyl)methyl]-2-thiomorpholin-3-ylacetamide;hydrochloride
CID 119939815

Frequently Asked Questions

What is the IUPAC name of 4-[(2-cyclopentyloxy-4-methoxyphenyl)methylamino]-2,2-dimethyl-4-oxobutanoic acid?
The IUPAC name of 4-[(2-cyclopentyloxy-4-methoxyphenyl)methylamino]-2,2-dimethyl-4-oxobutanoic acid (CID 119142062) is 4-[(2-cyclopentyloxy-4-methoxyphenyl)methylamino]-2,2-dimethyl-4-oxobutanoic acid.
What is the SMILES notation for 4-[(2-cyclopentyloxy-4-methoxyphenyl)methylamino]-2,2-dimethyl-4-oxobutanoic acid?
The canonical SMILES for 4-[(2-cyclopentyloxy-4-methoxyphenyl)methylamino]-2,2-dimethyl-4-oxobutanoic acid is COc1ccc(CNC(=O)CC(C)(C)C(=O)O)c(OC2CCCC2)c1.
What is the InChIKey of 4-[(2-cyclopentyloxy-4-methoxyphenyl)methylamino]-2,2-dimethyl-4-oxobutanoic acid?
The InChIKey is AOMWSDJGEVMREM-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H27NO5/c1-19(2,18(22)23)11-17(21)20-12-13-8-9-15(24-3)10-16(13)25-14-6-4-5-7-14/h8-10,14H,4-7,11-12H2,1-3H3,(H,20,21)(H,22,23).
What are the key properties of 4-[(2-cyclopentyloxy-4-methoxyphenyl)methylamino]-2,2-dimethyl-4-oxobutanoic acid?
4-[(2-cyclopentyloxy-4-methoxyphenyl)methylamino]-2,2-dimethyl-4-oxobutanoic acid has a molecular weight of 349.43 g/mol, XLogP of 3.13, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(2-cyclopentyloxy-4-methoxyphenyl)methylamino]-2,2-dimethyl-4-oxobutanoic acid is sourced from PubChem (CID 119142062), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).