4-(diethylamino)-2-methyl-2-[4-(2-methylpropyl)phenyl]butanoic acid

C19H31NO2 — CID 130237704

IUPAC4-(diethylamino)-2-methyl-2-[4-(2-methylpropyl)phenyl]butanoic acid
SMILESCCN(CC)CCC(C)(C(=O)O)c1ccc(CC(C)C)cc1
InChIInChI=1S/C19H31NO2/c1-6-20(7-2)13-12-19(5,18(21)22)17-10-8-16(9-11-17)14-15(3)4/h8-11,15H,6-7,12-14H2,1-5H3,(H,21,22)
InChIKeySSNUHSCCMLGWGP-UHFFFAOYSA-N
MW305.46 g/mol
LogP3.96
Rot. Bonds9

About 4-(diethylamino)-2-methyl-2-[4-(2-methylpropyl)phenyl]butanoic acid

4-(diethylamino)-2-methyl-2-[4-(2-methylpropyl)phenyl]butanoic acid (PubChem CID 130237704) has the molecular formula C19H31NO2 and a molecular weight of 305.46 g/mol. Its IUPAC name is 4-(diethylamino)-2-methyl-2-[4-(2-methylpropyl)phenyl]butanoic acid.

Molecular Properties

Compound Name4-(diethylamino)-2-methyl-2-[4-(2-methylpropyl)phenyl]butanoic acid
PubChem CID130237704
Molecular FormulaC19H31NO2
Molecular Weight305.46 g/mol
Exact Mass305.24
IUPAC Name4-(diethylamino)-2-methyl-2-[4-(2-methylpropyl)phenyl]butanoic acid
SMILESCCN(CC)CCC(C)(C(=O)O)c1ccc(CC(C)C)cc1
InChIInChI=1S/C19H31NO2/c1-6-20(7-2)13-12-19(5,18(21)22)17-10-8-16(9-11-17)14-15(3)4/h8-11,15H,6-7,12-14H2,1-5H3,(H,21,22)
InChIKeySSNUHSCCMLGWGP-UHFFFAOYSA-N
XLogP3.96
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.46
LogP ≤ 53.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(diethylamino)ethyl (2R)-2-[4-(2-methylpropyl)phenyl]propanoate
CID 135390819
2-[formyl(propyl)amino]-2-[4-(2-methylpropyl)phenyl]propanoic acid
CID 63689105
(2S)-2-[4-(2-methylpropyl)phenyl]pentan-2-ol
CID 97294137
2-[ethyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]-2-[4-(2-methylpropyl)phenyl]propanoic acid
CID 113235750
N-[3-(diethylamino)propyl]-4-(2-methylpropyl)benzamide
CID 59000989
3-methyl-3-[4-(2-methylpropyl)phenyl]butanoic acid
CID 79019407
6-(4-cyanophenyl)-6-hydroxy-6-(4-methoxyphenyl)-2-methyl-2-[4-(2-methylpropyl)phenyl]hexanoic acid
CID 175293061
2,4-dimethyl-2-phenylpentanoic acid;2-[4-(2-methylpropyl)phenyl]propanoic acid
CID 172770094
2,2-dimethyl-3-[4-(2-methylpropyl)phenyl]propanoic acid
CID 82290776
2-[4-(2-methylpropyl)phenyl]butan-2-ol
CID 91656197
N-ethyl-N-[[4-(2-methylpropyl)phenyl]methyl]ethanamine
CID 170239440
acetic acid;ethyl 2-(diethylamino)-2-[4-(2-methylpropyl)phenyl]propanoate
CID 175096043

Frequently Asked Questions

What is the IUPAC name of 4-(diethylamino)-2-methyl-2-[4-(2-methylpropyl)phenyl]butanoic acid?
The IUPAC name of 4-(diethylamino)-2-methyl-2-[4-(2-methylpropyl)phenyl]butanoic acid (CID 130237704) is 4-(diethylamino)-2-methyl-2-[4-(2-methylpropyl)phenyl]butanoic acid.
What is the SMILES notation for 4-(diethylamino)-2-methyl-2-[4-(2-methylpropyl)phenyl]butanoic acid?
The canonical SMILES for 4-(diethylamino)-2-methyl-2-[4-(2-methylpropyl)phenyl]butanoic acid is CCN(CC)CCC(C)(C(=O)O)c1ccc(CC(C)C)cc1.
What is the InChIKey of 4-(diethylamino)-2-methyl-2-[4-(2-methylpropyl)phenyl]butanoic acid?
The InChIKey is SSNUHSCCMLGWGP-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H31NO2/c1-6-20(7-2)13-12-19(5,18(21)22)17-10-8-16(9-11-17)14-15(3)4/h8-11,15H,6-7,12-14H2,1-5H3,(H,21,22).
What are the key properties of 4-(diethylamino)-2-methyl-2-[4-(2-methylpropyl)phenyl]butanoic acid?
4-(diethylamino)-2-methyl-2-[4-(2-methylpropyl)phenyl]butanoic acid has a molecular weight of 305.46 g/mol, XLogP of 3.96, 9 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(diethylamino)-2-methyl-2-[4-(2-methylpropyl)phenyl]butanoic acid is sourced from PubChem (CID 130237704), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).