(2S)-N-[(1R)-2-hydroxy-1-[2-methyl-6-[(2S)-2-methylbutoxy]-3-pyridinyl]ethyl]-2-phenylpropanamide

C22H30N2O3 — CID 118730012

IUPAC(2S)-N-[(1R)-2-hydroxy-1-[2-methyl-6-[(2S)-2-methylbutoxy]-3-pyridinyl]ethyl]-2-phenylpropanamide
SMILESCC[C@H](C)COc1ccc([C@H](CO)NC(=O)[C@@H](C)c2ccccc2)c(C)n1
InChIInChI=1S/C22H30N2O3/c1-5-15(2)14-27-21-12-11-19(17(4)23-21)20(13-25)24-22(26)16(3)18-9-7-6-8-10-18/h6-12,15-16,20,25H,5,13-14H2,1-4H3,(H,24,26)/t15-,16-,20-/m0/s1
InChIKeyAKHOLLDFJCNZSY-FTRWYGJKSA-N
MW370.49 g/mol
LogP3.77
Rot. Bonds9

About (2S)-N-[(1R)-2-hydroxy-1-[2-methyl-6-[(2S)-2-methylbutoxy]-3-pyridinyl]ethyl]-2-phenylpropanamide

(2S)-N-[(1R)-2-hydroxy-1-[2-methyl-6-[(2S)-2-methylbutoxy]-3-pyridinyl]ethyl]-2-phenylpropanamide (PubChem CID 118730012) has the molecular formula C22H30N2O3 and a molecular weight of 370.49 g/mol. Its IUPAC name is (2S)-N-[(1R)-2-hydroxy-1-[2-methyl-6-[(2S)-2-methylbutoxy]-3-pyridinyl]ethyl]-2-phenylpropanamide.

Molecular Properties

Compound Name(2S)-N-[(1R)-2-hydroxy-1-[2-methyl-6-[(2S)-2-methylbutoxy]-3-pyridinyl]ethyl]-2-phenylpropanamide
PubChem CID118730012
Molecular FormulaC22H30N2O3
Molecular Weight370.49 g/mol
Exact Mass370.23
IUPAC Name(2S)-N-[(1R)-2-hydroxy-1-[2-methyl-6-[(2S)-2-methylbutoxy]-3-pyridinyl]ethyl]-2-phenylpropanamide
SMILESCC[C@H](C)COc1ccc([C@H](CO)NC(=O)[C@@H](C)c2ccccc2)c(C)n1
InChIInChI=1S/C22H30N2O3/c1-5-15(2)14-27-21-12-11-19(17(4)23-21)20(13-25)24-22(26)16(3)18-9-7-6-8-10-18/h6-12,15-16,20,25H,5,13-14H2,1-4H3,(H,24,26)/t15-,16-,20-/m0/s1
InChIKeyAKHOLLDFJCNZSY-FTRWYGJKSA-N
XLogP3.77
TPSA71.45 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.49
LogP ≤ 53.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze (2S)-N-[(1R)-2-hydroxy-1-[2-methyl-6-[(2S)-2-methylbutoxy]-3-pyridinyl]ethyl]-2-phenylpropanamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

Suvecaltamide
CID 24765479
Tta-A2
CID 53317097
6-[4-(4-Methylamino-phenyl)-6-phenyl-pyridin-2-yloxy]-hexanoic acid
CID 10318241
6-[4-(4-Isopropylamino-phenyl)-6-phenyl-pyridin-2-yloxy]-hexanoic acid
CID 10387303
4-(aminomethyl)-N-[1-(6-methoxy-4-phenyl-2-pyridinyl)-2-phenylethyl]cyclohexane-1-carboxamide
CID 11683709
6-(4,6-Diphenyl-pyridin-2-yloxy)-hexanoic acid amide
CID 11726048
2-(4-propan-2-ylphenyl)-N-[(1R)-1-(5-propoxy-2-pyridinyl)ethyl]acetamide
CID 24765020
2-(4-isopropylphenyl)-N-[(1R)-1-(5-methoxypyridin-2-yl)ethyl]acetamide
CID 24765484
N-(2-hydroxyethyl)-3-[6-[2-[3-(trifluoromethyl)phenyl]ethoxy]pyridin-2-yl]benzamide
CID 44206579
(4S)-4-[(1R)-1-hydroxy-2-[[1-(3-propan-2-ylphenyl)cyclopropyl]amino]ethyl]-19-methyl-11,16-dioxa-3,18-diazatricyclo[15.3.1.16,10]docosa-1(21),6(22),7,9,17,19-hexaen-2-one
CID 46191766
(1S,2S)-2-Phenyl-cyclopropanecarboxylic acid [(S)-1-(6-isopropoxy-pyridin-3-yl)-ethyl]-amide
CID 71201914
trans-(1S,2S)-N-[(1R)-2-hydroxy-1-(6-propan-2-yloxy-3-pyridinyl)ethyl]-2-phenylcyclopropane-1-carboxamide
CID 71201939

Frequently Asked Questions

What is the IUPAC name of (2S)-N-[(1R)-2-hydroxy-1-[2-methyl-6-[(2S)-2-methylbutoxy]-3-pyridinyl]ethyl]-2-phenylpropanamide?
The IUPAC name of (2S)-N-[(1R)-2-hydroxy-1-[2-methyl-6-[(2S)-2-methylbutoxy]-3-pyridinyl]ethyl]-2-phenylpropanamide (CID 118730012) is (2S)-N-[(1R)-2-hydroxy-1-[2-methyl-6-[(2S)-2-methylbutoxy]-3-pyridinyl]ethyl]-2-phenylpropanamide.
What is the SMILES notation for (2S)-N-[(1R)-2-hydroxy-1-[2-methyl-6-[(2S)-2-methylbutoxy]-3-pyridinyl]ethyl]-2-phenylpropanamide?
The canonical SMILES for (2S)-N-[(1R)-2-hydroxy-1-[2-methyl-6-[(2S)-2-methylbutoxy]-3-pyridinyl]ethyl]-2-phenylpropanamide is CC[C@H](C)COc1ccc([C@H](CO)NC(=O)[C@@H](C)c2ccccc2)c(C)n1.
What is the InChIKey of (2S)-N-[(1R)-2-hydroxy-1-[2-methyl-6-[(2S)-2-methylbutoxy]-3-pyridinyl]ethyl]-2-phenylpropanamide?
The InChIKey is AKHOLLDFJCNZSY-FTRWYGJKSA-N. The full InChI is InChI=1S/C22H30N2O3/c1-5-15(2)14-27-21-12-11-19(17(4)23-21)20(13-25)24-22(26)16(3)18-9-7-6-8-10-18/h6-12,15-16,20,25H,5,13-14H2,1-4H3,(H,24,26)/t15-,16-,20-/m0/s1.
What are the key properties of (2S)-N-[(1R)-2-hydroxy-1-[2-methyl-6-[(2S)-2-methylbutoxy]-3-pyridinyl]ethyl]-2-phenylpropanamide?
(2S)-N-[(1R)-2-hydroxy-1-[2-methyl-6-[(2S)-2-methylbutoxy]-3-pyridinyl]ethyl]-2-phenylpropanamide has a molecular weight of 370.49 g/mol, XLogP of 3.77, 9 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-N-[(1R)-2-hydroxy-1-[2-methyl-6-[(2S)-2-methylbutoxy]-3-pyridinyl]ethyl]-2-phenylpropanamide is sourced from PubChem (CID 118730012), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).