N-[(2R)-2-hydroxy-3-[(1R)-1-phenylethoxy]propyl]cyclopentanecarboxamide

C17H25NO3 — CID 94800865

IUPACN-[(2R)-2-hydroxy-3-[(1R)-1-phenylethoxy]propyl]cyclopentanecarboxamide
SMILESC[C@@H](OC[C@H](O)CNC(=O)C1CCCC1)c1ccccc1
InChIInChI=1S/C17H25NO3/c1-13(14-7-3-2-4-8-14)21-12-16(19)11-18-17(20)15-9-5-6-10-15/h2-4,7-8,13,15-16,19H,5-6,9-12H2,1H3,(H,18,20)/t13-,16-/m1/s1
InChIKeyKDUAMBJTONTAGR-CZUORRHYSA-N
MW291.39 g/mol
LogP2.43
Rot. Bonds7

About N-[(2R)-2-hydroxy-3-[(1R)-1-phenylethoxy]propyl]cyclopentanecarboxamide

N-[(2R)-2-hydroxy-3-[(1R)-1-phenylethoxy]propyl]cyclopentanecarboxamide (PubChem CID 94800865) has the molecular formula C17H25NO3 and a molecular weight of 291.39 g/mol. Its IUPAC name is N-[(2R)-2-hydroxy-3-[(1R)-1-phenylethoxy]propyl]cyclopentanecarboxamide.

Molecular Properties

Compound NameN-[(2R)-2-hydroxy-3-[(1R)-1-phenylethoxy]propyl]cyclopentanecarboxamide
PubChem CID94800865
Molecular FormulaC17H25NO3
Molecular Weight291.39 g/mol
Exact Mass291.18
IUPAC NameN-[(2R)-2-hydroxy-3-[(1R)-1-phenylethoxy]propyl]cyclopentanecarboxamide
SMILESC[C@@H](OC[C@H](O)CNC(=O)C1CCCC1)c1ccccc1
InChIInChI=1S/C17H25NO3/c1-13(14-7-3-2-4-8-14)21-12-16(19)11-18-17(20)15-9-5-6-10-15/h2-4,7-8,13,15-16,19H,5-6,9-12H2,1H3,(H,18,20)/t13-,16-/m1/s1
InChIKeyKDUAMBJTONTAGR-CZUORRHYSA-N
XLogP2.43
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.39
LogP ≤ 52.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-(cyclopentylamino)-3-(1-phenylethoxy)propan-2-ol
CID 60635394
N-[(2S)-2-hydroxy-2-phenylethyl]cyclopentanecarboxamide
CID 93032915
1-(1-cyclopropylethylamino)-3-(1-phenylethoxy)propan-2-ol
CID 54938755
1-(2-cyclopropylpropylamino)-3-(1-phenylethoxy)propan-2-ol
CID 115591839
2-[[2-hydroxy-3-(1-phenylethoxy)propyl]amino]-N-propan-2-ylacetamide
CID 60910597
N-(2-bromo-2-phenylethyl)cyclohexanecarboxamide
CID 113274135
N-(2-methyl-3-phenylhexyl)cyclohexanecarboxamide
CID 90743751
N-[2-(dimethylamino)-2-phenylethyl]cyclohexanecarboxamide
CID 45001445
2-[[2-hydroxy-3-(1-phenylethoxy)propyl]amino]oxyacetamide
CID 112673959
1-[(2,2-dimethylcyclopentyl)amino]-3-(1-phenylethoxy)propan-2-ol
CID 79870746
1-[(2-methylcyclopropyl)amino]-3-(1-phenylethoxy)propan-2-ol
CID 55071380
2-[[2-hydroxy-3-(1-phenylethoxy)propyl]amino]ethylurea
CID 83121787

Frequently Asked Questions

What is the IUPAC name of N-[(2R)-2-hydroxy-3-[(1R)-1-phenylethoxy]propyl]cyclopentanecarboxamide?
The IUPAC name of N-[(2R)-2-hydroxy-3-[(1R)-1-phenylethoxy]propyl]cyclopentanecarboxamide (CID 94800865) is N-[(2R)-2-hydroxy-3-[(1R)-1-phenylethoxy]propyl]cyclopentanecarboxamide.
What is the SMILES notation for N-[(2R)-2-hydroxy-3-[(1R)-1-phenylethoxy]propyl]cyclopentanecarboxamide?
The canonical SMILES for N-[(2R)-2-hydroxy-3-[(1R)-1-phenylethoxy]propyl]cyclopentanecarboxamide is C[C@@H](OC[C@H](O)CNC(=O)C1CCCC1)c1ccccc1.
What is the InChIKey of N-[(2R)-2-hydroxy-3-[(1R)-1-phenylethoxy]propyl]cyclopentanecarboxamide?
The InChIKey is KDUAMBJTONTAGR-CZUORRHYSA-N. The full InChI is InChI=1S/C17H25NO3/c1-13(14-7-3-2-4-8-14)21-12-16(19)11-18-17(20)15-9-5-6-10-15/h2-4,7-8,13,15-16,19H,5-6,9-12H2,1H3,(H,18,20)/t13-,16-/m1/s1.
What are the key properties of N-[(2R)-2-hydroxy-3-[(1R)-1-phenylethoxy]propyl]cyclopentanecarboxamide?
N-[(2R)-2-hydroxy-3-[(1R)-1-phenylethoxy]propyl]cyclopentanecarboxamide has a molecular weight of 291.39 g/mol, XLogP of 2.43, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2R)-2-hydroxy-3-[(1R)-1-phenylethoxy]propyl]cyclopentanecarboxamide is sourced from PubChem (CID 94800865), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).