N'-(2-propan-2-ylphenyl)-N-(2-pyridin-3-yloxypropyl)butanediamide

C21H27N3O3 — CID 46997457

IUPACN'-(2-propan-2-ylphenyl)-N-(2-pyridin-3-yloxypropyl)butanediamide
SMILESCC(CNC(=O)CCC(=O)Nc1ccccc1C(C)C)Oc1cccnc1
InChIInChI=1S/C21H27N3O3/c1-15(2)18-8-4-5-9-19(18)24-21(26)11-10-20(25)23-13-16(3)27-17-7-6-12-22-14-17/h4-9,12,14-16H,10-11,13H2,1-3H3,(H,23,25)(H,24,26)
InChIKeyXVMFXXQYLYCKNM-UHFFFAOYSA-N
MW369.47 g/mol
LogP3.51
Rot. Bonds9

About N'-(2-propan-2-ylphenyl)-N-(2-pyridin-3-yloxypropyl)butanediamide

N'-(2-propan-2-ylphenyl)-N-(2-pyridin-3-yloxypropyl)butanediamide (PubChem CID 46997457) has the molecular formula C21H27N3O3 and a molecular weight of 369.47 g/mol. Its IUPAC name is N'-(2-propan-2-ylphenyl)-N-(2-pyridin-3-yloxypropyl)butanediamide.

Molecular Properties

Compound NameN'-(2-propan-2-ylphenyl)-N-(2-pyridin-3-yloxypropyl)butanediamide
PubChem CID46997457
Molecular FormulaC21H27N3O3
Molecular Weight369.47 g/mol
Exact Mass369.21
IUPAC NameN'-(2-propan-2-ylphenyl)-N-(2-pyridin-3-yloxypropyl)butanediamide
SMILESCC(CNC(=O)CCC(=O)Nc1ccccc1C(C)C)Oc1cccnc1
InChIInChI=1S/C21H27N3O3/c1-15(2)18-8-4-5-9-19(18)24-21(26)11-10-20(25)23-13-16(3)27-17-7-6-12-22-14-17/h4-9,12,14-16H,10-11,13H2,1-3H3,(H,23,25)(H,24,26)
InChIKeyXVMFXXQYLYCKNM-UHFFFAOYSA-N
XLogP3.51
TPSA80.32 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.47
LogP ≤ 53.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-ethylsulfanyl-N-[(2R)-2-pyridin-3-yloxypropyl]acetamide
CID 124753809
[2-oxo-2-(2-propan-2-ylanilino)ethyl] pyridine-3-carboxylate
CID 1088668
N-(2-propan-2-ylphenyl)-3-pyridin-4-ylpropanamide
CID 110468448
N'-(2-propan-2-ylphenyl)-N-(pyridin-3-ylmethyl)oxamide
CID 108500421
3-amino-N-(2-propan-2-ylphenyl)propanamide;hydrochloride
CID 71828995
4-(methylamino)-N-(2-propan-2-ylphenyl)butanamide
CID 54924530
2-phenoxy-N-(2-propan-2-ylphenyl)acetamide
CID 723304
N-pyrazin-2-yl-2-[[(2S)-2-pyridin-3-yloxypropyl]amino]acetamide
CID 95131886
N-(2-pyridin-3-yloxypropyl)-2-(4-pyrimidin-2-ylpiperazin-1-yl)acetamide
CID 135099380
N-(2-propan-2-ylphenyl)propanamide
CID 723442
2-iodo-N-(2-propan-2-ylphenyl)acetamide
CID 4198881
4-amino-N-(2-propan-2-ylphenyl)pentanamide;hydrochloride
CID 120558713

Frequently Asked Questions

What is the IUPAC name of N'-(2-propan-2-ylphenyl)-N-(2-pyridin-3-yloxypropyl)butanediamide?
The IUPAC name of N'-(2-propan-2-ylphenyl)-N-(2-pyridin-3-yloxypropyl)butanediamide (CID 46997457) is N'-(2-propan-2-ylphenyl)-N-(2-pyridin-3-yloxypropyl)butanediamide.
What is the SMILES notation for N'-(2-propan-2-ylphenyl)-N-(2-pyridin-3-yloxypropyl)butanediamide?
The canonical SMILES for N'-(2-propan-2-ylphenyl)-N-(2-pyridin-3-yloxypropyl)butanediamide is CC(CNC(=O)CCC(=O)Nc1ccccc1C(C)C)Oc1cccnc1.
What is the InChIKey of N'-(2-propan-2-ylphenyl)-N-(2-pyridin-3-yloxypropyl)butanediamide?
The InChIKey is XVMFXXQYLYCKNM-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H27N3O3/c1-15(2)18-8-4-5-9-19(18)24-21(26)11-10-20(25)23-13-16(3)27-17-7-6-12-22-14-17/h4-9,12,14-16H,10-11,13H2,1-3H3,(H,23,25)(H,24,26).
What are the key properties of N'-(2-propan-2-ylphenyl)-N-(2-pyridin-3-yloxypropyl)butanediamide?
N'-(2-propan-2-ylphenyl)-N-(2-pyridin-3-yloxypropyl)butanediamide has a molecular weight of 369.47 g/mol, XLogP of 3.51, 9 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(2-propan-2-ylphenyl)-N-(2-pyridin-3-yloxypropyl)butanediamide is sourced from PubChem (CID 46997457), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).