2-hydroxy-N-methyl-N-[(2S)-3-(4-methylphenyl)-2-[[3-[1-(4-methylphenyl)ethylamino]-2-pyridinyl]amino]propyl]acetamide

C27H34N4O2 — CID 139535670

IUPAC2-hydroxy-N-methyl-N-[(2S)-3-(4-methylphenyl)-2-[[3-[1-(4-methylphenyl)ethylamino]-2-pyridinyl]amino]propyl]acetamide
SMILESCc1ccc(C[C@@H](CN(C)C(=O)CO)Nc2ncccc2NC(C)c2ccc(C)cc2)cc1
InChIInChI=1S/C27H34N4O2/c1-19-7-11-22(12-8-19)16-24(17-31(4)26(33)18-32)30-27-25(6-5-15-28-27)29-21(3)23-13-9-20(2)10-14-23/h5-15,21,24,29,32H,16-18H2,1-4H3,(H,28,30)/t21?,24-/m0/s1
InChIKeyWYPIOACHPBKBLM-FHZUCYEKSA-N
MW446.60 g/mol
LogP4.35
Rot. Bonds10

About 2-hydroxy-N-methyl-N-[(2S)-3-(4-methylphenyl)-2-[[3-[1-(4-methylphenyl)ethylamino]-2-pyridinyl]amino]propyl]acetamide

2-hydroxy-N-methyl-N-[(2S)-3-(4-methylphenyl)-2-[[3-[1-(4-methylphenyl)ethylamino]-2-pyridinyl]amino]propyl]acetamide (PubChem CID 139535670) has the molecular formula C27H34N4O2 and a molecular weight of 446.60 g/mol. Its IUPAC name is 2-hydroxy-N-methyl-N-[(2S)-3-(4-methylphenyl)-2-[[3-[1-(4-methylphenyl)ethylamino]-2-pyridinyl]amino]propyl]acetamide.

Molecular Properties

Compound Name2-hydroxy-N-methyl-N-[(2S)-3-(4-methylphenyl)-2-[[3-[1-(4-methylphenyl)ethylamino]-2-pyridinyl]amino]propyl]acetamide
PubChem CID139535670
Molecular FormulaC27H34N4O2
Molecular Weight446.60 g/mol
Exact Mass446.27
IUPAC Name2-hydroxy-N-methyl-N-[(2S)-3-(4-methylphenyl)-2-[[3-[1-(4-methylphenyl)ethylamino]-2-pyridinyl]amino]propyl]acetamide
SMILESCc1ccc(C[C@@H](CN(C)C(=O)CO)Nc2ncccc2NC(C)c2ccc(C)cc2)cc1
InChIInChI=1S/C27H34N4O2/c1-19-7-11-22(12-8-19)16-24(17-31(4)26(33)18-32)30-27-25(6-5-15-28-27)29-21(3)23-13-9-20(2)10-14-23/h5-15,21,24,29,32H,16-18H2,1-4H3,(H,28,30)/t21?,24-/m0/s1
InChIKeyWYPIOACHPBKBLM-FHZUCYEKSA-N
XLogP4.35
TPSA77.49 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500446.60
LogP ≤ 54.35
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

2-hydroxy-N-methyl-N-[(2S)-3-(4-methylphenyl)-2-[[3-[2-(4-methylphenyl)ethylamino]-2-pyridinyl]amino]propyl]acetamide
CID 139535672
ethyl 2-[1-(4-methylphenyl)ethylamino]benzoate
CID 43322188
N-[1-(4-butylphenyl)ethyl]-2-methylpyridin-3-amine
CID 79041686
N-[2-[1-[4-(2-chloro-3-fluorophenyl)phenyl]ethylamino]-3-pyridinyl]-3,3,3-trifluoropropanamide
CID 10366575
4-[1-[(2-chloro-3-pyridinyl)amino]ethyl]phenol
CID 43689985
(2S)-2-[4-(2-methylpropyl)phenyl]-N'-(3-methyl-2-pyridinyl)propanehydrazide
CID 156776033
4-[2-[[(1S)-1-(4-methylphenyl)ethyl]amino]propyl]phenol
CID 115494469
N-(2-hydroxypropyl)-N-methyl-3-(4-methylphenyl)propanamide
CID 55061165
2-methyl-N-[1-(4-methylphenyl)ethyl]aniline
CID 43196651
2-methyl-3-[1-(4-methylphenyl)ethylamino]benzoic acid
CID 43737323
methyl 2-[1-(4-methylphenyl)ethylamino]benzoate
CID 43322026
2-[(4-methylphenyl)methyl]-3-pyrimidin-2-ylpropanoic acid
CID 79418377

Frequently Asked Questions

What is the IUPAC name of 2-hydroxy-N-methyl-N-[(2S)-3-(4-methylphenyl)-2-[[3-[1-(4-methylphenyl)ethylamino]-2-pyridinyl]amino]propyl]acetamide?
The IUPAC name of 2-hydroxy-N-methyl-N-[(2S)-3-(4-methylphenyl)-2-[[3-[1-(4-methylphenyl)ethylamino]-2-pyridinyl]amino]propyl]acetamide (CID 139535670) is 2-hydroxy-N-methyl-N-[(2S)-3-(4-methylphenyl)-2-[[3-[1-(4-methylphenyl)ethylamino]-2-pyridinyl]amino]propyl]acetamide.
What is the SMILES notation for 2-hydroxy-N-methyl-N-[(2S)-3-(4-methylphenyl)-2-[[3-[1-(4-methylphenyl)ethylamino]-2-pyridinyl]amino]propyl]acetamide?
The canonical SMILES for 2-hydroxy-N-methyl-N-[(2S)-3-(4-methylphenyl)-2-[[3-[1-(4-methylphenyl)ethylamino]-2-pyridinyl]amino]propyl]acetamide is Cc1ccc(C[C@@H](CN(C)C(=O)CO)Nc2ncccc2NC(C)c2ccc(C)cc2)cc1.
What is the InChIKey of 2-hydroxy-N-methyl-N-[(2S)-3-(4-methylphenyl)-2-[[3-[1-(4-methylphenyl)ethylamino]-2-pyridinyl]amino]propyl]acetamide?
The InChIKey is WYPIOACHPBKBLM-FHZUCYEKSA-N. The full InChI is InChI=1S/C27H34N4O2/c1-19-7-11-22(12-8-19)16-24(17-31(4)26(33)18-32)30-27-25(6-5-15-28-27)29-21(3)23-13-9-20(2)10-14-23/h5-15,21,24,29,32H,16-18H2,1-4H3,(H,28,30)/t21?,24-/m0/s1.
What are the key properties of 2-hydroxy-N-methyl-N-[(2S)-3-(4-methylphenyl)-2-[[3-[1-(4-methylphenyl)ethylamino]-2-pyridinyl]amino]propyl]acetamide?
2-hydroxy-N-methyl-N-[(2S)-3-(4-methylphenyl)-2-[[3-[1-(4-methylphenyl)ethylamino]-2-pyridinyl]amino]propyl]acetamide has a molecular weight of 446.60 g/mol, XLogP of 4.35, 10 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hydroxy-N-methyl-N-[(2S)-3-(4-methylphenyl)-2-[[3-[1-(4-methylphenyl)ethylamino]-2-pyridinyl]amino]propyl]acetamide is sourced from PubChem (CID 139535670), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).