4-(2-methylpropyl)-N-propyl-N-(2-pyridin-2-ylethyl)benzamide

C21H28N2O — CID 86873559

IUPAC4-(2-methylpropyl)-N-propyl-N-(2-pyridin-2-ylethyl)benzamide
SMILESCCCN(CCc1ccccn1)C(=O)c1ccc(CC(C)C)cc1
InChIInChI=1S/C21H28N2O/c1-4-14-23(15-12-20-7-5-6-13-22-20)21(24)19-10-8-18(9-11-19)16-17(2)3/h5-11,13,17H,4,12,14-16H2,1-3H3
InChIKeyLCOWGILJUZBGQC-UHFFFAOYSA-N
MW324.47 g/mol
LogP4.38
Rot. Bonds8

About 4-(2-methylpropyl)-N-propyl-N-(2-pyridin-2-ylethyl)benzamide

4-(2-methylpropyl)-N-propyl-N-(2-pyridin-2-ylethyl)benzamide (PubChem CID 86873559) has the molecular formula C21H28N2O and a molecular weight of 324.47 g/mol. Its IUPAC name is 4-(2-methylpropyl)-N-propyl-N-(2-pyridin-2-ylethyl)benzamide.

Molecular Properties

Compound Name4-(2-methylpropyl)-N-propyl-N-(2-pyridin-2-ylethyl)benzamide
PubChem CID86873559
Molecular FormulaC21H28N2O
Molecular Weight324.47 g/mol
Exact Mass324.22
IUPAC Name4-(2-methylpropyl)-N-propyl-N-(2-pyridin-2-ylethyl)benzamide
SMILESCCCN(CCc1ccccn1)C(=O)c1ccc(CC(C)C)cc1
InChIInChI=1S/C21H28N2O/c1-4-14-23(15-12-20-7-5-6-13-22-20)21(24)19-10-8-18(9-11-19)16-17(2)3/h5-11,13,17H,4,12,14-16H2,1-3H3
InChIKeyLCOWGILJUZBGQC-UHFFFAOYSA-N
XLogP4.38
TPSA33.20 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.47
LogP ≤ 54.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

N-propyl-N-(2-pyridin-2-ylethyl)-3,5-bis(trifluoromethyl)benzamide
CID 60590914
N-[(4-ethoxyphenyl)methyl]-4-ethyl-N-(2-pyridin-2-ylethyl)benzamide
CID 1057393
4-[(dipropylamino)methyl]-N-ethyl-N-(pyridin-2-ylmethyl)benzamide
CID 50948158
N-propyl-N-(2-pyridin-2-ylethyl)-1H-indazole-3-carboxamide
CID 52768641
4-(2-methylpropyl)-N-(pyridin-2-ylmethyl)benzamide;molecular hydrogen
CID 142259068
4-oxo-4-phenyl-N-propyl-N-(2-pyridin-2-ylethyl)butanamide
CID 49031326
3-[[propyl(2-pyridin-2-ylethyl)carbamoyl]amino]propanoic acid
CID 122019003
(2R)-2-(cyclopropylmethoxy)-N-propyl-N-(2-pyridin-2-ylethyl)propanamide
CID 95281968
N,N-dipropyl-2-pyridin-2-ylacetamide
CID 110696960
4-ethoxy-N-methyl-N-(2-pyridin-2-ylethyl)benzamide
CID 56809954
N-propyl-N-(2-pyridin-2-ylethyl)-2-(pyridin-4-ylmethylsulfanyl)acetamide
CID 49030662
N,N-dipropyl-4-(1-pyridin-2-ylethylcarbamoylamino)benzamide
CID 51118854

Frequently Asked Questions

What is the IUPAC name of 4-(2-methylpropyl)-N-propyl-N-(2-pyridin-2-ylethyl)benzamide?
The IUPAC name of 4-(2-methylpropyl)-N-propyl-N-(2-pyridin-2-ylethyl)benzamide (CID 86873559) is 4-(2-methylpropyl)-N-propyl-N-(2-pyridin-2-ylethyl)benzamide.
What is the SMILES notation for 4-(2-methylpropyl)-N-propyl-N-(2-pyridin-2-ylethyl)benzamide?
The canonical SMILES for 4-(2-methylpropyl)-N-propyl-N-(2-pyridin-2-ylethyl)benzamide is CCCN(CCc1ccccn1)C(=O)c1ccc(CC(C)C)cc1.
What is the InChIKey of 4-(2-methylpropyl)-N-propyl-N-(2-pyridin-2-ylethyl)benzamide?
The InChIKey is LCOWGILJUZBGQC-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H28N2O/c1-4-14-23(15-12-20-7-5-6-13-22-20)21(24)19-10-8-18(9-11-19)16-17(2)3/h5-11,13,17H,4,12,14-16H2,1-3H3.
What are the key properties of 4-(2-methylpropyl)-N-propyl-N-(2-pyridin-2-ylethyl)benzamide?
4-(2-methylpropyl)-N-propyl-N-(2-pyridin-2-ylethyl)benzamide has a molecular weight of 324.47 g/mol, XLogP of 4.38, 8 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-methylpropyl)-N-propyl-N-(2-pyridin-2-ylethyl)benzamide is sourced from PubChem (CID 86873559), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).