N-ethyl-3-hydroxy-2-phenyl-N-(pyridin-4-ylmethyl)propanamide

C17H20N2O2 — CID 5593

IUPACN-ethyl-3-hydroxy-2-phenyl-N-(pyridin-4-ylmethyl)propanamide
SMILESCCN(Cc1ccncc1)C(=O)C(CO)c1ccccc1
InChIInChI=1S/C17H20N2O2/c1-2-19(12-14-8-10-18-11-9-14)17(21)16(13-20)15-6-4-3-5-7-15/h3-11,16,20H,2,12-13H2,1H3
InChIKeyBGDKAVGWHJFAGW-UHFFFAOYSA-N
MW284.36 g/mol
LogP2.21
Rot. Bonds6

About N-ethyl-3-hydroxy-2-phenyl-N-(pyridin-4-ylmethyl)propanamide

N-ethyl-3-hydroxy-2-phenyl-N-(pyridin-4-ylmethyl)propanamide (PubChem CID 5593) has the molecular formula C17H20N2O2 and a molecular weight of 284.36 g/mol. Its IUPAC name is N-ethyl-3-hydroxy-2-phenyl-N-(pyridin-4-ylmethyl)propanamide.

Molecular Properties

Compound NameN-ethyl-3-hydroxy-2-phenyl-N-(pyridin-4-ylmethyl)propanamide
PubChem CID5593
Molecular FormulaC17H20N2O2
Molecular Weight284.36 g/mol
Exact Mass284.15
IUPAC NameN-ethyl-3-hydroxy-2-phenyl-N-(pyridin-4-ylmethyl)propanamide
SMILESCCN(Cc1ccncc1)C(=O)C(CO)c1ccccc1
InChIInChI=1S/C17H20N2O2/c1-2-19(12-14-8-10-18-11-9-14)17(21)16(13-20)15-6-4-3-5-7-15/h3-11,16,20H,2,12-13H2,1H3
InChIKeyBGDKAVGWHJFAGW-UHFFFAOYSA-N
XLogP2.21
TPSA53.43 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.36
LogP ≤ 52.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

Tropicamide, (R)-
CID 688595
(+/-)-threo-N-(3-Methylpyridine)methylphenidate
CID 52943482
(+/-)-threo-N-(4-Methylpyridine)methylphenidate
CID 52950138
N-ethyl-3-phenyl-N-(pyridin-4-ylmethyl)propanamide
CID 6466387
Ethyl 2-benzyl-3-oxo-3-[(pyridin-3-ylmethyl)amino]propanoate
CID 22331237
5-Phenyl-2-{[(pyridin-4-ylmethyl)amino]methylidene}cyclohexane-1,3-dione
CID 135447670
8-Phenyl-8-pyridin-3-yl-oct-7-enoic acid
CID 13417259
(E)-8-phenyl-8-pyridin-3-yloct-7-enoic acid
CID 13417260
12-Phenyl-12-pyridin-3-yl-dodec-11-enoic acid
CID 13417266
(E)-12-phenyl-12-pyridin-3-yldodec-11-enoic acid
CID 13417267
2-(1-Hydroxy-1-methyl-ethyl)-7-phenyl-7-pyridin-3-yl-hept-6-enoic acid
CID 13417319
2-Isopropenyl-7-phenyl-7-pyridin-3-yl-hept-6-enoic acid
CID 13417325

Frequently Asked Questions

What is the IUPAC name of N-ethyl-3-hydroxy-2-phenyl-N-(pyridin-4-ylmethyl)propanamide?
The IUPAC name of N-ethyl-3-hydroxy-2-phenyl-N-(pyridin-4-ylmethyl)propanamide (CID 5593) is N-ethyl-3-hydroxy-2-phenyl-N-(pyridin-4-ylmethyl)propanamide.
What is the SMILES notation for N-ethyl-3-hydroxy-2-phenyl-N-(pyridin-4-ylmethyl)propanamide?
The canonical SMILES for N-ethyl-3-hydroxy-2-phenyl-N-(pyridin-4-ylmethyl)propanamide is CCN(Cc1ccncc1)C(=O)C(CO)c1ccccc1.
What is the InChIKey of N-ethyl-3-hydroxy-2-phenyl-N-(pyridin-4-ylmethyl)propanamide?
The InChIKey is BGDKAVGWHJFAGW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N2O2/c1-2-19(12-14-8-10-18-11-9-14)17(21)16(13-20)15-6-4-3-5-7-15/h3-11,16,20H,2,12-13H2,1H3.
What are the key properties of N-ethyl-3-hydroxy-2-phenyl-N-(pyridin-4-ylmethyl)propanamide?
N-ethyl-3-hydroxy-2-phenyl-N-(pyridin-4-ylmethyl)propanamide has a molecular weight of 284.36 g/mol, XLogP of 2.21, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-3-hydroxy-2-phenyl-N-(pyridin-4-ylmethyl)propanamide is sourced from PubChem (CID 5593), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).