N-(2-propan-2-ylphenyl)-3-pyridin-4-ylpropanamide

C17H20N2O — CID 110468448

IUPACN-(2-propan-2-ylphenyl)-3-pyridin-4-ylpropanamide
SMILESCC(C)c1ccccc1NC(=O)CCc1ccncc1
InChIInChI=1S/C17H20N2O/c1-13(2)15-5-3-4-6-16(15)19-17(20)8-7-14-9-11-18-12-10-14/h3-6,9-13H,7-8H2,1-2H3,(H,19,20)
InChIKeyLHXMZLIKMUYHOV-UHFFFAOYSA-N
MW268.36 g/mol
LogP3.78
Rot. Bonds5

About N-(2-propan-2-ylphenyl)-3-pyridin-4-ylpropanamide

N-(2-propan-2-ylphenyl)-3-pyridin-4-ylpropanamide (PubChem CID 110468448) has the molecular formula C17H20N2O and a molecular weight of 268.36 g/mol. Its IUPAC name is N-(2-propan-2-ylphenyl)-3-pyridin-4-ylpropanamide.

Molecular Properties

Compound NameN-(2-propan-2-ylphenyl)-3-pyridin-4-ylpropanamide
PubChem CID110468448
Molecular FormulaC17H20N2O
Molecular Weight268.36 g/mol
Exact Mass268.16
IUPAC NameN-(2-propan-2-ylphenyl)-3-pyridin-4-ylpropanamide
SMILESCC(C)c1ccccc1NC(=O)CCc1ccncc1
InChIInChI=1S/C17H20N2O/c1-13(2)15-5-3-4-6-16(15)19-17(20)8-7-14-9-11-18-12-10-14/h3-6,9-13H,7-8H2,1-2H3,(H,19,20)
InChIKeyLHXMZLIKMUYHOV-UHFFFAOYSA-N
XLogP3.78
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.36
LogP ≤ 53.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-[methyl(2-pyridin-4-ylethyl)amino]-N-(2-propan-2-ylphenyl)propanamide
CID 109026200
2-[2-(3-pyridin-4-ylpropanoylamino)phenyl]acetic acid
CID 81455570
3-amino-N-(2-propan-2-ylphenyl)propanamide;hydrochloride
CID 71828995
3-(2-chlorophenyl)-N-(2-propan-2-ylphenyl)propanamide
CID 17179057
N-(3-chloro-2-methylphenyl)-3-pyridin-4-ylpropanamide
CID 110468468
2-iodo-N-(2-propan-2-ylphenyl)acetamide
CID 4198881
N-(2-propan-2-ylphenyl)propanamide
CID 723442
2-methyl-5-oxo-5-(2-propan-2-ylanilino)pentanoic acid
CID 112517159
4-amino-N-(2-propan-2-ylphenyl)pentanamide;hydrochloride
CID 120558713
3-(butan-2-ylamino)-N-(2-propan-2-ylphenyl)propanamide
CID 109013163
N-methyl-3-(2-propan-2-ylanilino)-N-(2-pyridin-4-ylethyl)propanamide
CID 109026055
4-(methylamino)-N-(2-propan-2-ylphenyl)butanamide
CID 54924530

Frequently Asked Questions

What is the IUPAC name of N-(2-propan-2-ylphenyl)-3-pyridin-4-ylpropanamide?
The IUPAC name of N-(2-propan-2-ylphenyl)-3-pyridin-4-ylpropanamide (CID 110468448) is N-(2-propan-2-ylphenyl)-3-pyridin-4-ylpropanamide.
What is the SMILES notation for N-(2-propan-2-ylphenyl)-3-pyridin-4-ylpropanamide?
The canonical SMILES for N-(2-propan-2-ylphenyl)-3-pyridin-4-ylpropanamide is CC(C)c1ccccc1NC(=O)CCc1ccncc1.
What is the InChIKey of N-(2-propan-2-ylphenyl)-3-pyridin-4-ylpropanamide?
The InChIKey is LHXMZLIKMUYHOV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N2O/c1-13(2)15-5-3-4-6-16(15)19-17(20)8-7-14-9-11-18-12-10-14/h3-6,9-13H,7-8H2,1-2H3,(H,19,20).
What are the key properties of N-(2-propan-2-ylphenyl)-3-pyridin-4-ylpropanamide?
N-(2-propan-2-ylphenyl)-3-pyridin-4-ylpropanamide has a molecular weight of 268.36 g/mol, XLogP of 3.78, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-propan-2-ylphenyl)-3-pyridin-4-ylpropanamide is sourced from PubChem (CID 110468448), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).