(2S,3S)-5-ethoxy-N,3-dihydroxy-2-methyl-2-[(4-phenylphenyl)methoxy]pentanamide

C21H27NO5 — CID 70689468

IUPAC(2S,3S)-5-ethoxy-N,3-dihydroxy-2-methyl-2-[(4-phenylphenyl)methoxy]pentanamide
SMILESCCOCC[C@H](O)[C@](C)(OCc1ccc(-c2ccccc2)cc1)C(=O)NO
InChIInChI=1S/C21H27NO5/c1-3-26-14-13-19(23)21(2,20(24)22-25)27-15-16-9-11-18(12-10-16)17-7-5-4-6-8-17/h4-12,19,23,25H,3,13-15H2,1-2H3,(H,22,24)/t19-,21-/m0/s1
InChIKeyKXQHQOVKEMSLRA-FPOVZHCZSA-N
MW373.45 g/mol
LogP2.92
Rot. Bonds10

About (2S,3S)-5-ethoxy-N,3-dihydroxy-2-methyl-2-[(4-phenylphenyl)methoxy]pentanamide

(2S,3S)-5-ethoxy-N,3-dihydroxy-2-methyl-2-[(4-phenylphenyl)methoxy]pentanamide (PubChem CID 70689468) has the molecular formula C21H27NO5 and a molecular weight of 373.45 g/mol. Its IUPAC name is (2S,3S)-5-ethoxy-N,3-dihydroxy-2-methyl-2-[(4-phenylphenyl)methoxy]pentanamide.

Molecular Properties

Compound Name(2S,3S)-5-ethoxy-N,3-dihydroxy-2-methyl-2-[(4-phenylphenyl)methoxy]pentanamide
PubChem CID70689468
Molecular FormulaC21H27NO5
Molecular Weight373.45 g/mol
Exact Mass373.19
IUPAC Name(2S,3S)-5-ethoxy-N,3-dihydroxy-2-methyl-2-[(4-phenylphenyl)methoxy]pentanamide
SMILESCCOCC[C@H](O)[C@](C)(OCc1ccc(-c2ccccc2)cc1)C(=O)NO
InChIInChI=1S/C21H27NO5/c1-3-26-14-13-19(23)21(2,20(24)22-25)27-15-16-9-11-18(12-10-16)17-7-5-4-6-8-17/h4-12,19,23,25H,3,13-15H2,1-2H3,(H,22,24)/t19-,21-/m0/s1
InChIKeyKXQHQOVKEMSLRA-FPOVZHCZSA-N
XLogP2.92
TPSA88.02 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.45
LogP ≤ 52.92
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'hydroxamic_acid', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

CID 45254637
CID 45254637
CID 45254832
CID 45254832
CID 45255036
CID 45255036
CID 70681061
CID 70681061
CID 70689467
CID 70689467
CID 70693660
CID 70693660
CID 70693661
CID 70693661
CID 70693659
CID 70693659
CID 73669294
CID 73669294
CID 127026266
CID 127026266
CID 127026268
CID 127026268
CID 127026269
CID 127026269

Frequently Asked Questions

What is the IUPAC name of (2S,3S)-5-ethoxy-N,3-dihydroxy-2-methyl-2-[(4-phenylphenyl)methoxy]pentanamide?
The IUPAC name of (2S,3S)-5-ethoxy-N,3-dihydroxy-2-methyl-2-[(4-phenylphenyl)methoxy]pentanamide (CID 70689468) is (2S,3S)-5-ethoxy-N,3-dihydroxy-2-methyl-2-[(4-phenylphenyl)methoxy]pentanamide.
What is the SMILES notation for (2S,3S)-5-ethoxy-N,3-dihydroxy-2-methyl-2-[(4-phenylphenyl)methoxy]pentanamide?
The canonical SMILES for (2S,3S)-5-ethoxy-N,3-dihydroxy-2-methyl-2-[(4-phenylphenyl)methoxy]pentanamide is CCOCC[C@H](O)[C@](C)(OCc1ccc(-c2ccccc2)cc1)C(=O)NO.
What is the InChIKey of (2S,3S)-5-ethoxy-N,3-dihydroxy-2-methyl-2-[(4-phenylphenyl)methoxy]pentanamide?
The InChIKey is KXQHQOVKEMSLRA-FPOVZHCZSA-N. The full InChI is InChI=1S/C21H27NO5/c1-3-26-14-13-19(23)21(2,20(24)22-25)27-15-16-9-11-18(12-10-16)17-7-5-4-6-8-17/h4-12,19,23,25H,3,13-15H2,1-2H3,(H,22,24)/t19-,21-/m0/s1.
What are the key properties of (2S,3S)-5-ethoxy-N,3-dihydroxy-2-methyl-2-[(4-phenylphenyl)methoxy]pentanamide?
(2S,3S)-5-ethoxy-N,3-dihydroxy-2-methyl-2-[(4-phenylphenyl)methoxy]pentanamide has a molecular weight of 373.45 g/mol, XLogP of 2.92, 10 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,3S)-5-ethoxy-N,3-dihydroxy-2-methyl-2-[(4-phenylphenyl)methoxy]pentanamide is sourced from PubChem (CID 70689468), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).