4-[2-[(2-hydroxy-2-phenylethyl)amino]ethyl]-N-methyl-N-(pyridin-3-ylmethyl)benzamide

C24H27N3O2 — CID 123984244

IUPAC4-[2-[(2-hydroxy-2-phenylethyl)amino]ethyl]-N-methyl-N-(pyridin-3-ylmethyl)benzamide
SMILESCN(Cc1cccnc1)C(=O)c1ccc(CCNCC(O)c2ccccc2)cc1
InChIInChI=1S/C24H27N3O2/c1-27(18-20-6-5-14-25-16-20)24(29)22-11-9-19(10-12-22)13-15-26-17-23(28)21-7-3-2-4-8-21/h2-12,14,16,23,26,28H,13,15,17-18H2,1H3
InChIKeyZUIYTFMOSTVIAD-UHFFFAOYSA-N
MW389.50 g/mol
LogP3.22
Rot. Bonds9

About 4-[2-[(2-hydroxy-2-phenylethyl)amino]ethyl]-N-methyl-N-(pyridin-3-ylmethyl)benzamide

4-[2-[(2-hydroxy-2-phenylethyl)amino]ethyl]-N-methyl-N-(pyridin-3-ylmethyl)benzamide (PubChem CID 123984244) has the molecular formula C24H27N3O2 and a molecular weight of 389.50 g/mol. Its IUPAC name is 4-[2-[(2-hydroxy-2-phenylethyl)amino]ethyl]-N-methyl-N-(pyridin-3-ylmethyl)benzamide.

Molecular Properties

Compound Name4-[2-[(2-hydroxy-2-phenylethyl)amino]ethyl]-N-methyl-N-(pyridin-3-ylmethyl)benzamide
PubChem CID123984244
Molecular FormulaC24H27N3O2
Molecular Weight389.50 g/mol
Exact Mass389.21
IUPAC Name4-[2-[(2-hydroxy-2-phenylethyl)amino]ethyl]-N-methyl-N-(pyridin-3-ylmethyl)benzamide
SMILESCN(Cc1cccnc1)C(=O)c1ccc(CCNCC(O)c2ccccc2)cc1
InChIInChI=1S/C24H27N3O2/c1-27(18-20-6-5-14-25-16-20)24(29)22-11-9-19(10-12-22)13-15-26-17-23(28)21-7-3-2-4-8-21/h2-12,14,16,23,26,28H,13,15,17-18H2,1H3
InChIKeyZUIYTFMOSTVIAD-UHFFFAOYSA-N
XLogP3.22
TPSA65.46 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.50
LogP ≤ 53.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

4-[2-[(2-hydroxy-2-phenylethyl)amino]ethyl]-N-methyl-N-[(5-methyl-3-pyridinyl)methyl]benzamide
CID 144821842
2-(2-phenylethylamino)-1-pyridin-3-ylethanol
CID 20826867
N-[(4-chloro-5-methyl-4,5-dihydro-1H-pyrazol-3-yl)methyl]-4-[2-[[(2R)-2-hydroxy-2-phenylethyl]amino]ethyl]-N-methylbenzamide
CID 139419289
N-[(4-hydroxy-5-methyl-2,3-dihydro-1H-pyrazol-3-yl)methyl]-4-[2-[(2-hydroxy-2-phenylethyl)amino]ethyl]-N-methylbenzamide
CID 144821966
4-[2-[[2-(5-fluoro-3-pyridinyl)-2-hydroxyethyl]amino]ethyl]-N-methyl-N-(pyrazin-2-ylmethyl)benzamide
CID 123270984
4-[2-[[2-(3-chlorophenyl)-2-hydroxyethyl]amino]butyl]-N-methyl-N-(pyridin-3-ylmethyl)benzamide
CID 123722486
4-(methoxymethyl)-N-methyl-N-(pyridin-3-ylmethyl)benzamide
CID 86977207
N-[(5-ethyl-4-methyl-2,3-dihydro-1H-pyrazol-3-yl)methyl]-4-[2-[(2-hydroxy-2-phenylethyl)amino]ethyl]-N-methylbenzamide
CID 139419244
4-tert-butyl-N-methyl-N-(pyridin-3-ylmethyl)benzamide
CID 86932717
4-[4-[2-[[(2S)-2-hydroxy-2-pyridin-3-ylethyl]amino]ethyl]phenyl]-3-methylbenzoic acid
CID 69051953
4-cyano-N-methyl-N-(pyridin-3-ylmethyl)benzamide
CID 43397555
methyl 4-[[[(2S)-2-amino-2-phenylacetyl]-(pyridin-3-ylmethyl)amino]methyl]benzoate
CID 139608966

Frequently Asked Questions

What is the IUPAC name of 4-[2-[(2-hydroxy-2-phenylethyl)amino]ethyl]-N-methyl-N-(pyridin-3-ylmethyl)benzamide?
The IUPAC name of 4-[2-[(2-hydroxy-2-phenylethyl)amino]ethyl]-N-methyl-N-(pyridin-3-ylmethyl)benzamide (CID 123984244) is 4-[2-[(2-hydroxy-2-phenylethyl)amino]ethyl]-N-methyl-N-(pyridin-3-ylmethyl)benzamide.
What is the SMILES notation for 4-[2-[(2-hydroxy-2-phenylethyl)amino]ethyl]-N-methyl-N-(pyridin-3-ylmethyl)benzamide?
The canonical SMILES for 4-[2-[(2-hydroxy-2-phenylethyl)amino]ethyl]-N-methyl-N-(pyridin-3-ylmethyl)benzamide is CN(Cc1cccnc1)C(=O)c1ccc(CCNCC(O)c2ccccc2)cc1.
What is the InChIKey of 4-[2-[(2-hydroxy-2-phenylethyl)amino]ethyl]-N-methyl-N-(pyridin-3-ylmethyl)benzamide?
The InChIKey is ZUIYTFMOSTVIAD-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H27N3O2/c1-27(18-20-6-5-14-25-16-20)24(29)22-11-9-19(10-12-22)13-15-26-17-23(28)21-7-3-2-4-8-21/h2-12,14,16,23,26,28H,13,15,17-18H2,1H3.
What are the key properties of 4-[2-[(2-hydroxy-2-phenylethyl)amino]ethyl]-N-methyl-N-(pyridin-3-ylmethyl)benzamide?
4-[2-[(2-hydroxy-2-phenylethyl)amino]ethyl]-N-methyl-N-(pyridin-3-ylmethyl)benzamide has a molecular weight of 389.50 g/mol, XLogP of 3.22, 9 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-[(2-hydroxy-2-phenylethyl)amino]ethyl]-N-methyl-N-(pyridin-3-ylmethyl)benzamide is sourced from PubChem (CID 123984244), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).