5-[1-(4-methoxyphenyl)pentylamino]-3,3-dimethyl-5-oxopentanoic acid

C19H29NO4 — CID 119114121

IUPAC5-[1-(4-methoxyphenyl)pentylamino]-3,3-dimethyl-5-oxopentanoic acid
SMILESCCCCC(NC(=O)CC(C)(C)CC(=O)O)c1ccc(OC)cc1
InChIInChI=1S/C19H29NO4/c1-5-6-7-16(14-8-10-15(24-4)11-9-14)20-17(21)12-19(2,3)13-18(22)23/h8-11,16H,5-7,12-13H2,1-4H3,(H,20,21)(H,22,23)
InChIKeyMGVCJZLNXGYQNJ-UHFFFAOYSA-N
MW335.44 g/mol
LogP3.93
Rot. Bonds10

About 5-[1-(4-methoxyphenyl)pentylamino]-3,3-dimethyl-5-oxopentanoic acid

5-[1-(4-methoxyphenyl)pentylamino]-3,3-dimethyl-5-oxopentanoic acid (PubChem CID 119114121) has the molecular formula C19H29NO4 and a molecular weight of 335.44 g/mol. Its IUPAC name is 5-[1-(4-methoxyphenyl)pentylamino]-3,3-dimethyl-5-oxopentanoic acid.

Molecular Properties

Compound Name5-[1-(4-methoxyphenyl)pentylamino]-3,3-dimethyl-5-oxopentanoic acid
PubChem CID119114121
Molecular FormulaC19H29NO4
Molecular Weight335.44 g/mol
Exact Mass335.21
IUPAC Name5-[1-(4-methoxyphenyl)pentylamino]-3,3-dimethyl-5-oxopentanoic acid
SMILESCCCCC(NC(=O)CC(C)(C)CC(=O)O)c1ccc(OC)cc1
InChIInChI=1S/C19H29NO4/c1-5-6-7-16(14-8-10-15(24-4)11-9-14)20-17(21)12-19(2,3)13-18(22)23/h8-11,16H,5-7,12-13H2,1-4H3,(H,20,21)(H,22,23)
InChIKeyMGVCJZLNXGYQNJ-UHFFFAOYSA-N
XLogP3.93
TPSA75.63 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.44
LogP ≤ 53.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-amino-N-[1-(4-methoxyphenyl)pentyl]acetamide;hydrochloride
CID 119318115
3-[1-(4-methoxyphenyl)pentylcarbamoyl-methylamino]propanoic acid
CID 122000751
3-(methanesulfonamido)-N-[(1R)-1-(4-methoxyphenyl)pentyl]propanamide
CID 95151859
3-[1-(4-methoxyphenyl)pentylcarbamoyl-methylamino]-2-methylpropanoic acid
CID 122000754
5-(4-methoxyanilino)-3,3-dimethyl-5-oxopentanoic acid
CID 3345535
N-[1-(4-methoxyphenyl)pentyl]-2-methyl-3-(methylamino)propanamide;hydrochloride
CID 119774273
4-(aminomethyl)-N-[1-(4-methoxyphenyl)pentyl]benzamide
CID 119318120
5-[1-(3-methoxyphenyl)ethylamino]-3,3-dimethyl-5-oxopentanoic acid
CID 61058990
N-[(1R)-1-(4-methoxyphenyl)pentyl]-3-(2-oxo-1,3-oxazolidin-3-yl)propanamide
CID 95156218
N-[1-(4-methoxyphenyl)pentyl]aniline
CID 102396772
3-amino-N-[1-(4-methoxyphenyl)pentyl]cyclopentane-1-carboxamide
CID 119774262
1-methoxy-4-nonan-5-ylbenzene
CID 14937032

Frequently Asked Questions

What is the IUPAC name of 5-[1-(4-methoxyphenyl)pentylamino]-3,3-dimethyl-5-oxopentanoic acid?
The IUPAC name of 5-[1-(4-methoxyphenyl)pentylamino]-3,3-dimethyl-5-oxopentanoic acid (CID 119114121) is 5-[1-(4-methoxyphenyl)pentylamino]-3,3-dimethyl-5-oxopentanoic acid.
What is the SMILES notation for 5-[1-(4-methoxyphenyl)pentylamino]-3,3-dimethyl-5-oxopentanoic acid?
The canonical SMILES for 5-[1-(4-methoxyphenyl)pentylamino]-3,3-dimethyl-5-oxopentanoic acid is CCCCC(NC(=O)CC(C)(C)CC(=O)O)c1ccc(OC)cc1.
What is the InChIKey of 5-[1-(4-methoxyphenyl)pentylamino]-3,3-dimethyl-5-oxopentanoic acid?
The InChIKey is MGVCJZLNXGYQNJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H29NO4/c1-5-6-7-16(14-8-10-15(24-4)11-9-14)20-17(21)12-19(2,3)13-18(22)23/h8-11,16H,5-7,12-13H2,1-4H3,(H,20,21)(H,22,23).
What are the key properties of 5-[1-(4-methoxyphenyl)pentylamino]-3,3-dimethyl-5-oxopentanoic acid?
5-[1-(4-methoxyphenyl)pentylamino]-3,3-dimethyl-5-oxopentanoic acid has a molecular weight of 335.44 g/mol, XLogP of 3.93, 10 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[1-(4-methoxyphenyl)pentylamino]-3,3-dimethyl-5-oxopentanoic acid is sourced from PubChem (CID 119114121), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).