2-(pyridine-3-carbonylamino)butyl 2-[4-(2-methylpropyl)phenyl]propanoate

C23H30N2O3 — CID 11280516

IUPAC2-(pyridine-3-carbonylamino)butyl 2-[4-(2-methylpropyl)phenyl]propanoate
SMILESCCC(COC(=O)C(C)c1ccc(CC(C)C)cc1)NC(=O)c1cccnc1
InChIInChI=1S/C23H30N2O3/c1-5-21(25-22(26)20-7-6-12-24-14-20)15-28-23(27)17(4)19-10-8-18(9-11-19)13-16(2)3/h6-12,14,16-17,21H,5,13,15H2,1-4H3,(H,25,26)
InChIKeySJOHIXPERVTTIZ-UHFFFAOYSA-N
MW382.50 g/mol
LogP4.14
Rot. Bonds9

About 2-(pyridine-3-carbonylamino)butyl 2-[4-(2-methylpropyl)phenyl]propanoate

2-(pyridine-3-carbonylamino)butyl 2-[4-(2-methylpropyl)phenyl]propanoate (PubChem CID 11280516) has the molecular formula C23H30N2O3 and a molecular weight of 382.50 g/mol. Its IUPAC name is 2-(pyridine-3-carbonylamino)butyl 2-[4-(2-methylpropyl)phenyl]propanoate.

Molecular Properties

Compound Name2-(pyridine-3-carbonylamino)butyl 2-[4-(2-methylpropyl)phenyl]propanoate
PubChem CID11280516
Molecular FormulaC23H30N2O3
Molecular Weight382.50 g/mol
Exact Mass382.23
IUPAC Name2-(pyridine-3-carbonylamino)butyl 2-[4-(2-methylpropyl)phenyl]propanoate
SMILESCCC(COC(=O)C(C)c1ccc(CC(C)C)cc1)NC(=O)c1cccnc1
InChIInChI=1S/C23H30N2O3/c1-5-21(25-22(26)20-7-6-12-24-14-20)15-28-23(27)17(4)19-10-8-18(9-11-19)13-16(2)3/h6-12,14,16-17,21H,5,13,15H2,1-4H3,(H,25,26)
InChIKeySJOHIXPERVTTIZ-UHFFFAOYSA-N
XLogP4.14
TPSA68.29 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.50
LogP ≤ 54.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-pyridin-3-ylpropyl (2S)-2-[4-(2-methylpropyl)phenyl]propanoate
CID 124528117
ethyl (2S)-2-[4-(pyridine-3-carbonyl)phenyl]propanoate
CID 70637609
N-(1-amino-3-phenylpropan-2-yl)pyridine-3-carboxamide
CID 63754512
N-(1-hydroxy-4-methylpentan-2-yl)pyridine-3-carboxamide
CID 61246175
N-[(2R)-1-(4-bromophenyl)propan-2-yl]pyridine-3-carboxamide
CID 51948817
N-[(Z)-1-[4-(2-methylpropyl)phenyl]ethylideneamino]pyridine-3-carboxamide
CID 9059720
methyl 3-(4-hydroxyphenyl)-2-(pyridine-3-carbonylamino)propanoate
CID 67326276
N-(4-amino-1-methoxybutan-2-yl)pyridine-3-carboxamide
CID 106152616
N-[(4-butan-2-ylphenyl)methyl]pyridine-3-carboxamide
CID 110780451
[(2S)-2-[4-(2-methylpropyl)phenyl]propanoyl]oxymethyl (2S)-2-[4-(2-methylpropyl)phenyl]propanoate
CID 118682684
(2S)-2-amino-3-[(2S)-2-[4-(2-methylpropyl)phenyl]propanoyl]oxypropanoic acid
CID 67493555
N-[1-(4-methylphenyl)ethyl]pyridine-3-carboxamide
CID 4126174

Frequently Asked Questions

What is the IUPAC name of 2-(pyridine-3-carbonylamino)butyl 2-[4-(2-methylpropyl)phenyl]propanoate?
The IUPAC name of 2-(pyridine-3-carbonylamino)butyl 2-[4-(2-methylpropyl)phenyl]propanoate (CID 11280516) is 2-(pyridine-3-carbonylamino)butyl 2-[4-(2-methylpropyl)phenyl]propanoate.
What is the SMILES notation for 2-(pyridine-3-carbonylamino)butyl 2-[4-(2-methylpropyl)phenyl]propanoate?
The canonical SMILES for 2-(pyridine-3-carbonylamino)butyl 2-[4-(2-methylpropyl)phenyl]propanoate is CCC(COC(=O)C(C)c1ccc(CC(C)C)cc1)NC(=O)c1cccnc1.
What is the InChIKey of 2-(pyridine-3-carbonylamino)butyl 2-[4-(2-methylpropyl)phenyl]propanoate?
The InChIKey is SJOHIXPERVTTIZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H30N2O3/c1-5-21(25-22(26)20-7-6-12-24-14-20)15-28-23(27)17(4)19-10-8-18(9-11-19)13-16(2)3/h6-12,14,16-17,21H,5,13,15H2,1-4H3,(H,25,26).
What are the key properties of 2-(pyridine-3-carbonylamino)butyl 2-[4-(2-methylpropyl)phenyl]propanoate?
2-(pyridine-3-carbonylamino)butyl 2-[4-(2-methylpropyl)phenyl]propanoate has a molecular weight of 382.50 g/mol, XLogP of 4.14, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(pyridine-3-carbonylamino)butyl 2-[4-(2-methylpropyl)phenyl]propanoate is sourced from PubChem (CID 11280516), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).