3-[1-(4-methoxyphenyl)pentylcarbamoyl-methylamino]-2-methylpropanoic acid

C18H28N2O4 — CID 122000754

IUPAC3-[1-(4-methoxyphenyl)pentylcarbamoyl-methylamino]-2-methylpropanoic acid
SMILESCCCCC(NC(=O)N(C)CC(C)C(=O)O)c1ccc(OC)cc1
InChIInChI=1S/C18H28N2O4/c1-5-6-7-16(14-8-10-15(24-4)11-9-14)19-18(23)20(3)12-13(2)17(21)22/h8-11,13,16H,5-7,12H2,1-4H3,(H,19,23)(H,21,22)
InChIKeyOKHVQSSMAUSTDO-UHFFFAOYSA-N
MW336.43 g/mol
LogP3.29
Rot. Bonds9

About 3-[1-(4-methoxyphenyl)pentylcarbamoyl-methylamino]-2-methylpropanoic acid

3-[1-(4-methoxyphenyl)pentylcarbamoyl-methylamino]-2-methylpropanoic acid (PubChem CID 122000754) has the molecular formula C18H28N2O4 and a molecular weight of 336.43 g/mol. Its IUPAC name is 3-[1-(4-methoxyphenyl)pentylcarbamoyl-methylamino]-2-methylpropanoic acid.

Molecular Properties

Compound Name3-[1-(4-methoxyphenyl)pentylcarbamoyl-methylamino]-2-methylpropanoic acid
PubChem CID122000754
Molecular FormulaC18H28N2O4
Molecular Weight336.43 g/mol
Exact Mass336.20
IUPAC Name3-[1-(4-methoxyphenyl)pentylcarbamoyl-methylamino]-2-methylpropanoic acid
SMILESCCCCC(NC(=O)N(C)CC(C)C(=O)O)c1ccc(OC)cc1
InChIInChI=1S/C18H28N2O4/c1-5-6-7-16(14-8-10-15(24-4)11-9-14)19-18(23)20(3)12-13(2)17(21)22/h8-11,13,16H,5-7,12H2,1-4H3,(H,19,23)(H,21,22)
InChIKeyOKHVQSSMAUSTDO-UHFFFAOYSA-N
XLogP3.29
TPSA78.87 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.43
LogP ≤ 53.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 3-[1-(4-methoxyphenyl)pentylcarbamoyl-methylamino]-2-methylpropanoic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-[1-(4-methoxyphenyl)pentylcarbamoyl-methylamino]propanoic acid
CID 122000751
3-[1-(4-methoxyphenyl)ethylcarbamoyl-methylamino]-2-methylpropanoic acid
CID 66195659
3-[[1-methoxy-1-(4-methoxyphenyl)propan-2-yl]carbamoyl-methylamino]-2-methylpropanoic acid
CID 122008787
N-[1-(4-methoxyphenyl)pentyl]-2-methyl-3-(methylamino)propanamide;hydrochloride
CID 119774273
3-[2-(4-methoxyphenyl)propanoyl-methylamino]-2-methylpropanoic acid
CID 119228886
5-[1-(4-methoxyphenyl)pentylamino]-3,3-dimethyl-5-oxopentanoic acid
CID 119114121
3-[1-(4-methoxyphenyl)ethyl-methylamino]-2-methylpropanoic acid
CID 65071757
2-amino-N-[1-(4-methoxyphenyl)pentyl]acetamide;hydrochloride
CID 119318115
(2S)-2-[2-(4-methoxyphenyl)propanoylamino]hexanoic acid
CID 120614449
3-[bis(3-methoxyphenyl)methylcarbamoyl-methylamino]-2-methylpropanoic acid
CID 122005019
(2S)-2-[[(4-methoxyphenyl)-methylcarbamoyl]amino]hexanoic acid
CID 107145948
2-[2-(4-methoxyphenyl)propylamino]hexanoic acid
CID 122039668

Frequently Asked Questions

What is the IUPAC name of 3-[1-(4-methoxyphenyl)pentylcarbamoyl-methylamino]-2-methylpropanoic acid?
The IUPAC name of 3-[1-(4-methoxyphenyl)pentylcarbamoyl-methylamino]-2-methylpropanoic acid (CID 122000754) is 3-[1-(4-methoxyphenyl)pentylcarbamoyl-methylamino]-2-methylpropanoic acid.
What is the SMILES notation for 3-[1-(4-methoxyphenyl)pentylcarbamoyl-methylamino]-2-methylpropanoic acid?
The canonical SMILES for 3-[1-(4-methoxyphenyl)pentylcarbamoyl-methylamino]-2-methylpropanoic acid is CCCCC(NC(=O)N(C)CC(C)C(=O)O)c1ccc(OC)cc1.
What is the InChIKey of 3-[1-(4-methoxyphenyl)pentylcarbamoyl-methylamino]-2-methylpropanoic acid?
The InChIKey is OKHVQSSMAUSTDO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H28N2O4/c1-5-6-7-16(14-8-10-15(24-4)11-9-14)19-18(23)20(3)12-13(2)17(21)22/h8-11,13,16H,5-7,12H2,1-4H3,(H,19,23)(H,21,22).
What are the key properties of 3-[1-(4-methoxyphenyl)pentylcarbamoyl-methylamino]-2-methylpropanoic acid?
3-[1-(4-methoxyphenyl)pentylcarbamoyl-methylamino]-2-methylpropanoic acid has a molecular weight of 336.43 g/mol, XLogP of 3.29, 9 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[1-(4-methoxyphenyl)pentylcarbamoyl-methylamino]-2-methylpropanoic acid is sourced from PubChem (CID 122000754), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).