N-[(1R,2S,3R,4R)-2,3-dihydroxy-4-(3-methoxyphenoxy)cyclopentyl]-2-methylpropanamide

C16H23NO5 — CID 110157628

IUPACN-[(1R,2S,3R,4R)-2,3-dihydroxy-4-(3-methoxyphenoxy)cyclopentyl]-2-methylpropanamide
SMILESCOc1cccc(O[C@@H]2C[C@@H](NC(=O)C(C)C)[C@H](O)[C@H]2O)c1
InChIInChI=1S/C16H23NO5/c1-9(2)16(20)17-12-8-13(15(19)14(12)18)22-11-6-4-5-10(7-11)21-3/h4-7,9,12-15,18-19H,8H2,1-3H3,(H,17,20)/t12-,13-,14+,15+/m1/s1
InChIKeyUUANMOIMYDKBDT-KBXIAJHMSA-N
MW309.36 g/mol
LogP0.71
Rot. Bonds5

About N-[(1R,2S,3R,4R)-2,3-dihydroxy-4-(3-methoxyphenoxy)cyclopentyl]-2-methylpropanamide

N-[(1R,2S,3R,4R)-2,3-dihydroxy-4-(3-methoxyphenoxy)cyclopentyl]-2-methylpropanamide (PubChem CID 110157628) has the molecular formula C16H23NO5 and a molecular weight of 309.36 g/mol. Its IUPAC name is N-[(1R,2S,3R,4R)-2,3-dihydroxy-4-(3-methoxyphenoxy)cyclopentyl]-2-methylpropanamide.

Molecular Properties

Compound NameN-[(1R,2S,3R,4R)-2,3-dihydroxy-4-(3-methoxyphenoxy)cyclopentyl]-2-methylpropanamide
PubChem CID110157628
Molecular FormulaC16H23NO5
Molecular Weight309.36 g/mol
Exact Mass309.16
IUPAC NameN-[(1R,2S,3R,4R)-2,3-dihydroxy-4-(3-methoxyphenoxy)cyclopentyl]-2-methylpropanamide
SMILESCOc1cccc(O[C@@H]2C[C@@H](NC(=O)C(C)C)[C@H](O)[C@H]2O)c1
InChIInChI=1S/C16H23NO5/c1-9(2)16(20)17-12-8-13(15(19)14(12)18)22-11-6-4-5-10(7-11)21-3/h4-7,9,12-15,18-19H,8H2,1-3H3,(H,17,20)/t12-,13-,14+,15+/m1/s1
InChIKeyUUANMOIMYDKBDT-KBXIAJHMSA-N
XLogP0.71
TPSA88.02 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.36
LogP ≤ 50.71
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Analyze N-[(1R,2S,3R,4R)-2,3-dihydroxy-4-(3-methoxyphenoxy)cyclopentyl]-2-methylpropanamide with MolForge

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Related Compounds

N-[(1R,2S,3R,4R)-2,3-dihydroxy-4-(3-methoxyphenoxy)cyclopentyl]-3-methylpyridine-2-carboxamide
CID 155901938
N-[(1R,2S,3R,4R)-2-(dimethylamino)-3-hydroxy-4-(3-methoxyphenoxy)cyclopentyl]acetamide
CID 110157342
N-[(1R,2S,3R,4R)-3-hydroxy-2-(4-hydroxypiperidin-1-yl)-4-(3-methoxyphenoxy)cyclopentyl]acetamide
CID 155984652
N-[(1R,2S,3R,4R)-3-hydroxy-4-(3-methoxyphenoxy)-2-piperidin-1-ylcyclopentyl]pyridine-3-carboxamide
CID 110157415
N-[(1R,2S,3R,4R)-3-hydroxy-4-phenoxy-2-piperidin-1-ylcyclopentyl]-3-methoxybenzamide
CID 110153321
N-cyclopropyl-2-(3-methoxyanilino)propanamide
CID 43085846
N-[(1R,2S,3R,4R)-2,3-dihydroxy-4-[(6-methyl-2-pyridinyl)oxymethyl]cyclopentyl]-2-(3-methoxyphenyl)acetamide
CID 75529512
N-[(1R,2S,3R,4R)-2-(dimethylamino)-3-hydroxy-4-phenoxycyclopentyl]-4-methoxybenzamide
CID 110158004
(2S)-2-[3-(3-methoxyphenoxy)azetidin-1-yl]-N-(1,3-thiazol-2-yl)propanamide
CID 95127937
2-hydroxy-N-(3-methoxyphenyl)propanamide
CID 82125804
ethane;(3-methoxyphenyl) methyl carbonate
CID 91439212
(2R)-N-cyclopropyl-2-(3-methoxyphenyl)sulfanylpropanamide
CID 35041164

Frequently Asked Questions

What is the IUPAC name of N-[(1R,2S,3R,4R)-2,3-dihydroxy-4-(3-methoxyphenoxy)cyclopentyl]-2-methylpropanamide?
The IUPAC name of N-[(1R,2S,3R,4R)-2,3-dihydroxy-4-(3-methoxyphenoxy)cyclopentyl]-2-methylpropanamide (CID 110157628) is N-[(1R,2S,3R,4R)-2,3-dihydroxy-4-(3-methoxyphenoxy)cyclopentyl]-2-methylpropanamide.
What is the SMILES notation for N-[(1R,2S,3R,4R)-2,3-dihydroxy-4-(3-methoxyphenoxy)cyclopentyl]-2-methylpropanamide?
The canonical SMILES for N-[(1R,2S,3R,4R)-2,3-dihydroxy-4-(3-methoxyphenoxy)cyclopentyl]-2-methylpropanamide is COc1cccc(O[C@@H]2C[C@@H](NC(=O)C(C)C)[C@H](O)[C@H]2O)c1.
What is the InChIKey of N-[(1R,2S,3R,4R)-2,3-dihydroxy-4-(3-methoxyphenoxy)cyclopentyl]-2-methylpropanamide?
The InChIKey is UUANMOIMYDKBDT-KBXIAJHMSA-N. The full InChI is InChI=1S/C16H23NO5/c1-9(2)16(20)17-12-8-13(15(19)14(12)18)22-11-6-4-5-10(7-11)21-3/h4-7,9,12-15,18-19H,8H2,1-3H3,(H,17,20)/t12-,13-,14+,15+/m1/s1.
What are the key properties of N-[(1R,2S,3R,4R)-2,3-dihydroxy-4-(3-methoxyphenoxy)cyclopentyl]-2-methylpropanamide?
N-[(1R,2S,3R,4R)-2,3-dihydroxy-4-(3-methoxyphenoxy)cyclopentyl]-2-methylpropanamide has a molecular weight of 309.36 g/mol, XLogP of 0.71, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1R,2S,3R,4R)-2,3-dihydroxy-4-(3-methoxyphenoxy)cyclopentyl]-2-methylpropanamide is sourced from PubChem (CID 110157628), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).