N-[(1R,2S,3R,5R)-2,3-dihydroxy-5-(2-methylphenyl)cyclopentyl]-2-methylpropanamide

C16H23NO3 — CID 75367130

IUPACN-[(1R,2S,3R,5R)-2,3-dihydroxy-5-(2-methylphenyl)cyclopentyl]-2-methylpropanamide
SMILESCc1ccccc1[C@H]1C[C@@H](O)[C@@H](O)[C@@H]1NC(=O)C(C)C
InChIInChI=1S/C16H23NO3/c1-9(2)16(20)17-14-12(8-13(18)15(14)19)11-7-5-4-6-10(11)3/h4-7,9,12-15,18-19H,8H2,1-3H3,(H,17,20)/t12-,13-,14-,15-/m1/s1
InChIKeyHMYPHPHGRBHQTD-KBUPBQIOSA-N
MW277.36 g/mol
LogP1.34
Rot. Bonds3

About N-[(1R,2S,3R,5R)-2,3-dihydroxy-5-(2-methylphenyl)cyclopentyl]-2-methylpropanamide

N-[(1R,2S,3R,5R)-2,3-dihydroxy-5-(2-methylphenyl)cyclopentyl]-2-methylpropanamide (PubChem CID 75367130) has the molecular formula C16H23NO3 and a molecular weight of 277.36 g/mol. Its IUPAC name is N-[(1R,2S,3R,5R)-2,3-dihydroxy-5-(2-methylphenyl)cyclopentyl]-2-methylpropanamide.

Molecular Properties

Compound NameN-[(1R,2S,3R,5R)-2,3-dihydroxy-5-(2-methylphenyl)cyclopentyl]-2-methylpropanamide
PubChem CID75367130
Molecular FormulaC16H23NO3
Molecular Weight277.36 g/mol
Exact Mass277.17
IUPAC NameN-[(1R,2S,3R,5R)-2,3-dihydroxy-5-(2-methylphenyl)cyclopentyl]-2-methylpropanamide
SMILESCc1ccccc1[C@H]1C[C@@H](O)[C@@H](O)[C@@H]1NC(=O)C(C)C
InChIInChI=1S/C16H23NO3/c1-9(2)16(20)17-14-12(8-13(18)15(14)19)11-7-5-4-6-10(11)3/h4-7,9,12-15,18-19H,8H2,1-3H3,(H,17,20)/t12-,13-,14-,15-/m1/s1
InChIKeyHMYPHPHGRBHQTD-KBUPBQIOSA-N
XLogP1.34
TPSA69.56 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.36
LogP ≤ 51.34
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

N-[2,3-dihydroxy-5-(2-methylphenyl)cyclopentyl]pyrazine-2-carboxamide
CID 78150805
(1R,2S,3R,4R)-3-(cyclopentylmethylamino)-4-(2-methylphenyl)cyclopentane-1,2-diol
CID 71693831
4-chloro-N-[(1R,2S,3R,5R)-2,3-dihydroxy-5-(2-methylphenyl)cyclopentyl]benzenesulfonamide
CID 71694018
2-(2-methylphenyl)-4-propan-2-ylcyclohexane-1-carboxylic acid
CID 81021069
(1R)-1-[(1S,2S)-2-(2-methylphenyl)cyclopropyl]ethanamine
CID 28912263
2-[[2-(2-methylphenyl)cyclopropanecarbonyl]amino]propanoic acid
CID 119225504
3-[[2-(2-methylphenyl)cyclopropanecarbonyl]amino]butanoic acid
CID 119221223
N-[2,3-dihydroxy-5-(4-methylphenyl)cyclopentyl]benzamide
CID 78150918
2-methyl-N-(3-phenylcyclobutyl)propanamide
CID 166834731
3-(2-methylphenyl)cyclobutan-1-ol
CID 60792741
1-[(1R,2R)-2-tert-butylcyclopropyl]-2-methylbenzene
CID 59774098
N-[(1R)-3,3-dimethyl-2,4-dihydro-1H-naphthalen-1-yl]-2-methylpropanamide
CID 137458482

Frequently Asked Questions

What is the IUPAC name of N-[(1R,2S,3R,5R)-2,3-dihydroxy-5-(2-methylphenyl)cyclopentyl]-2-methylpropanamide?
The IUPAC name of N-[(1R,2S,3R,5R)-2,3-dihydroxy-5-(2-methylphenyl)cyclopentyl]-2-methylpropanamide (CID 75367130) is N-[(1R,2S,3R,5R)-2,3-dihydroxy-5-(2-methylphenyl)cyclopentyl]-2-methylpropanamide.
What is the SMILES notation for N-[(1R,2S,3R,5R)-2,3-dihydroxy-5-(2-methylphenyl)cyclopentyl]-2-methylpropanamide?
The canonical SMILES for N-[(1R,2S,3R,5R)-2,3-dihydroxy-5-(2-methylphenyl)cyclopentyl]-2-methylpropanamide is Cc1ccccc1[C@H]1C[C@@H](O)[C@@H](O)[C@@H]1NC(=O)C(C)C.
What is the InChIKey of N-[(1R,2S,3R,5R)-2,3-dihydroxy-5-(2-methylphenyl)cyclopentyl]-2-methylpropanamide?
The InChIKey is HMYPHPHGRBHQTD-KBUPBQIOSA-N. The full InChI is InChI=1S/C16H23NO3/c1-9(2)16(20)17-14-12(8-13(18)15(14)19)11-7-5-4-6-10(11)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,5R)-2,3-dihydroxy-5-(2-methylphenyl)cyclopentyl]-2-methylpropanamide?
N-[(1R,2S,3R,5R)-2,3-dihydroxy-5-(2-methylphenyl)cyclopentyl]-2-methylpropanamide has a molecular weight of 277.36 g/mol, XLogP of 1.34, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1R,2S,3R,5R)-2,3-dihydroxy-5-(2-methylphenyl)cyclopentyl]-2-methylpropanamide is sourced from PubChem (CID 75367130), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).