4-(dimethylamino)-2-[hydroxy(pyridin-2-yl)methyl]-2-phenylhexanamide

C20H27N3O2 — CID 57298658

IUPAC4-(dimethylamino)-2-[hydroxy(pyridin-2-yl)methyl]-2-phenylhexanamide
SMILESCCC(CC(C(N)=O)(c1ccccc1)C(O)c1ccccn1)N(C)C
InChIInChI=1S/C20H27N3O2/c1-4-16(23(2)3)14-20(19(21)25,15-10-6-5-7-11-15)18(24)17-12-8-9-13-22-17/h5-13,16,18,24H,4,14H2,1-3H3,(H2,21,25)
InChIKeyYMENFVHVAQOCLM-UHFFFAOYSA-N
MW341.45 g/mol
LogP2.27
Rot. Bonds8

About 4-(dimethylamino)-2-[hydroxy(pyridin-2-yl)methyl]-2-phenylhexanamide

4-(dimethylamino)-2-[hydroxy(pyridin-2-yl)methyl]-2-phenylhexanamide (PubChem CID 57298658) has the molecular formula C20H27N3O2 and a molecular weight of 341.45 g/mol. Its IUPAC name is 4-(dimethylamino)-2-[hydroxy(pyridin-2-yl)methyl]-2-phenylhexanamide.

Molecular Properties

Compound Name4-(dimethylamino)-2-[hydroxy(pyridin-2-yl)methyl]-2-phenylhexanamide
PubChem CID57298658
Molecular FormulaC20H27N3O2
Molecular Weight341.45 g/mol
Exact Mass341.21
IUPAC Name4-(dimethylamino)-2-[hydroxy(pyridin-2-yl)methyl]-2-phenylhexanamide
SMILESCCC(CC(C(N)=O)(c1ccccc1)C(O)c1ccccn1)N(C)C
InChIInChI=1S/C20H27N3O2/c1-4-16(23(2)3)14-20(19(21)25,15-10-6-5-7-11-15)18(24)17-12-8-9-13-22-17/h5-13,16,18,24H,4,14H2,1-3H3,(H2,21,25)
InChIKeyYMENFVHVAQOCLM-UHFFFAOYSA-N
XLogP2.27
TPSA79.45 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.45
LogP ≤ 52.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

methyl (2S)-2-[(S)-hydroxy(pyridin-2-yl)methyl]-2-phenylbutanoate
CID 71662848
2-[dimethylamino(pyridin-2-yl)methyl]butanoic acid
CID 116913130
methyl 2-[dimethylamino(pyridin-2-yl)methyl]butanoate
CID 116913613
4-(dimethylamino)-4-pyridin-2-ylbutan-2-one
CID 82125654
(4R)-4-(dimethylamino)-2,2-diphenylpentanamide
CID 51382597
(2S)-2-amino-N-(1-pyridin-2-ylethyl)butanamide
CID 79024975
2-[hydroxy(pyridin-2-yl)methyl]-2-methylbutanenitrile
CID 79137493
ethyl 2-phenyl-2-pyridin-2-ylacetate
CID 10752615
methyl 2,2-dimethyl-4-pyridin-2-ylhexanoate
CID 58862789
1-N,1-N,2-trimethyl-1-pyridin-2-ylpropane-1,2-diamine
CID 116904567
2,2,2-trichloro-1-pyridin-2-ylethanol
CID 3066911
2-(1-pyridin-2-ylethylcarbamoylamino)butanoic acid
CID 61198086

Frequently Asked Questions

What is the IUPAC name of 4-(dimethylamino)-2-[hydroxy(pyridin-2-yl)methyl]-2-phenylhexanamide?
The IUPAC name of 4-(dimethylamino)-2-[hydroxy(pyridin-2-yl)methyl]-2-phenylhexanamide (CID 57298658) is 4-(dimethylamino)-2-[hydroxy(pyridin-2-yl)methyl]-2-phenylhexanamide.
What is the SMILES notation for 4-(dimethylamino)-2-[hydroxy(pyridin-2-yl)methyl]-2-phenylhexanamide?
The canonical SMILES for 4-(dimethylamino)-2-[hydroxy(pyridin-2-yl)methyl]-2-phenylhexanamide is CCC(CC(C(N)=O)(c1ccccc1)C(O)c1ccccn1)N(C)C.
What is the InChIKey of 4-(dimethylamino)-2-[hydroxy(pyridin-2-yl)methyl]-2-phenylhexanamide?
The InChIKey is YMENFVHVAQOCLM-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H27N3O2/c1-4-16(23(2)3)14-20(19(21)25,15-10-6-5-7-11-15)18(24)17-12-8-9-13-22-17/h5-13,16,18,24H,4,14H2,1-3H3,(H2,21,25).
What are the key properties of 4-(dimethylamino)-2-[hydroxy(pyridin-2-yl)methyl]-2-phenylhexanamide?
4-(dimethylamino)-2-[hydroxy(pyridin-2-yl)methyl]-2-phenylhexanamide has a molecular weight of 341.45 g/mol, XLogP of 2.27, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(dimethylamino)-2-[hydroxy(pyridin-2-yl)methyl]-2-phenylhexanamide is sourced from PubChem (CID 57298658), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).