N-[(1S)-2-(2-chlorophenyl)-1-[(2S,5S)-2,5-dihydroxycyclopentyl]ethyl]-2-hydroxy-4-methylpentanamide

C19H28ClNO4 — CID 141079087

IUPACN-[(1S)-2-(2-chlorophenyl)-1-[(2S,5S)-2,5-dihydroxycyclopentyl]ethyl]-2-hydroxy-4-methylpentanamide
SMILESCC(C)CC(O)C(=O)N[C@@H](Cc1ccccc1Cl)C1[C@@H](O)CC[C@@H]1O
InChIInChI=1S/C19H28ClNO4/c1-11(2)9-17(24)19(25)21-14(18-15(22)7-8-16(18)23)10-12-5-3-4-6-13(12)20/h3-6,11,14-18,22-24H,7-10H2,1-2H3,(H,21,25)/t14-,15-,16-,17?/m0/s1
InChIKeyKQVBGSBBDOGLLT-RXMKTKRKSA-N
MW369.89 g/mol
LogP1.91
Rot. Bonds7

About N-[(1S)-2-(2-chlorophenyl)-1-[(2S,5S)-2,5-dihydroxycyclopentyl]ethyl]-2-hydroxy-4-methylpentanamide

N-[(1S)-2-(2-chlorophenyl)-1-[(2S,5S)-2,5-dihydroxycyclopentyl]ethyl]-2-hydroxy-4-methylpentanamide (PubChem CID 141079087) has the molecular formula C19H28ClNO4 and a molecular weight of 369.89 g/mol. Its IUPAC name is N-[(1S)-2-(2-chlorophenyl)-1-[(2S,5S)-2,5-dihydroxycyclopentyl]ethyl]-2-hydroxy-4-methylpentanamide.

Molecular Properties

Compound NameN-[(1S)-2-(2-chlorophenyl)-1-[(2S,5S)-2,5-dihydroxycyclopentyl]ethyl]-2-hydroxy-4-methylpentanamide
PubChem CID141079087
Molecular FormulaC19H28ClNO4
Molecular Weight369.89 g/mol
Exact Mass369.17
IUPAC NameN-[(1S)-2-(2-chlorophenyl)-1-[(2S,5S)-2,5-dihydroxycyclopentyl]ethyl]-2-hydroxy-4-methylpentanamide
SMILESCC(C)CC(O)C(=O)N[C@@H](Cc1ccccc1Cl)C1[C@@H](O)CC[C@@H]1O
InChIInChI=1S/C19H28ClNO4/c1-11(2)9-17(24)19(25)21-14(18-15(22)7-8-16(18)23)10-12-5-3-4-6-13(12)20/h3-6,11,14-18,22-24H,7-10H2,1-2H3,(H,21,25)/t14-,15-,16-,17?/m0/s1
InChIKeyKQVBGSBBDOGLLT-RXMKTKRKSA-N
XLogP1.91
TPSA89.79 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.89
LogP ≤ 51.91
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(1S)-1-(2,5-dihydroxycyclopentyl)-2-(2-fluorophenyl)ethyl]-2-hydroxy-4-methylpentanamide
CID 174483712
(2S)-N-[(1S)-1-(2,5-dihydroxycyclopentyl)-2-phenylethyl]-2-hydroxy-3-methylbutanamide
CID 174483700
(2S)-2-amino-N-[1-(2-chlorophenyl)propan-2-yl]-4-methylpentanamide
CID 61156026
N-[1-(2-chlorophenyl)propan-2-yl]-4-methylpiperidine-1-carboxamide
CID 110675399
3-(2-chlorophenyl)-1-(4-hydroxypiperidin-1-yl)-2-methylpropan-1-one
CID 109378493
4-(2-chlorophenyl)-3-methylbutan-2-one
CID 59397015
(2R)-3-(2-chlorophenyl)-2-methylpropanoic acid
CID 40999440
2-(2-chlorophenyl)-N-[(1S)-1-(4-piperidin-1-ylphenyl)ethyl]acetamide
CID 100633286
2-[(2-chlorophenyl)methyl]-3-cyclopropylpropanoic acid
CID 79418256
N-[1-(2-chlorophenyl)propan-2-yl]pyrrolidine-1-carboxamide
CID 110675397
(3R)-N-[1-(2-chlorophenyl)propan-2-yl]piperidine-3-carboxamide
CID 81123725
4-acetyl-N-[1-(2-chlorophenyl)propan-2-yl]piperazine-1-carboxamide
CID 110675407

Frequently Asked Questions

What is the IUPAC name of N-[(1S)-2-(2-chlorophenyl)-1-[(2S,5S)-2,5-dihydroxycyclopentyl]ethyl]-2-hydroxy-4-methylpentanamide?
The IUPAC name of N-[(1S)-2-(2-chlorophenyl)-1-[(2S,5S)-2,5-dihydroxycyclopentyl]ethyl]-2-hydroxy-4-methylpentanamide (CID 141079087) is N-[(1S)-2-(2-chlorophenyl)-1-[(2S,5S)-2,5-dihydroxycyclopentyl]ethyl]-2-hydroxy-4-methylpentanamide.
What is the SMILES notation for N-[(1S)-2-(2-chlorophenyl)-1-[(2S,5S)-2,5-dihydroxycyclopentyl]ethyl]-2-hydroxy-4-methylpentanamide?
The canonical SMILES for N-[(1S)-2-(2-chlorophenyl)-1-[(2S,5S)-2,5-dihydroxycyclopentyl]ethyl]-2-hydroxy-4-methylpentanamide is CC(C)CC(O)C(=O)N[C@@H](Cc1ccccc1Cl)C1[C@@H](O)CC[C@@H]1O.
What is the InChIKey of N-[(1S)-2-(2-chlorophenyl)-1-[(2S,5S)-2,5-dihydroxycyclopentyl]ethyl]-2-hydroxy-4-methylpentanamide?
The InChIKey is KQVBGSBBDOGLLT-RXMKTKRKSA-N. The full InChI is InChI=1S/C19H28ClNO4/c1-11(2)9-17(24)19(25)21-14(18-15(22)7-8-16(18)23)10-12-5-3-4-6-13(12)20/h3-6,11,14-18,22-24H,7-10H2,1-2H3,(H,21,25)/t14-,15-,16-,17?/m0/s1.
What are the key properties of N-[(1S)-2-(2-chlorophenyl)-1-[(2S,5S)-2,5-dihydroxycyclopentyl]ethyl]-2-hydroxy-4-methylpentanamide?
N-[(1S)-2-(2-chlorophenyl)-1-[(2S,5S)-2,5-dihydroxycyclopentyl]ethyl]-2-hydroxy-4-methylpentanamide has a molecular weight of 369.89 g/mol, XLogP of 1.91, 7 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1S)-2-(2-chlorophenyl)-1-[(2S,5S)-2,5-dihydroxycyclopentyl]ethyl]-2-hydroxy-4-methylpentanamide is sourced from PubChem (CID 141079087), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).