N-[2-[4-[(2R,3S)-2,3-dihydroxy-3-methyl-4-oxobutoxy]phenyl]ethyl]benzamide

C20H23NO5 — CID 162820279

IUPACN-[2-[4-[(2R,3S)-2,3-dihydroxy-3-methyl-4-oxobutoxy]phenyl]ethyl]benzamide
SMILESC[C@@](O)(C=O)[C@H](O)COc1ccc(CCNC(=O)c2ccccc2)cc1
InChIInChI=1S/C20H23NO5/c1-20(25,14-22)18(23)13-26-17-9-7-15(8-10-17)11-12-21-19(24)16-5-3-2-4-6-16/h2-10,14,18,23,25H,11-13H2,1H3,(H,21,24)/t18-,20-/m1/s1
InChIKeySWCGHBCMQFDCAH-UYAOXDASSA-N
MW357.41 g/mol
LogP1.35
Rot. Bonds9

About N-[2-[4-[(2R,3S)-2,3-dihydroxy-3-methyl-4-oxobutoxy]phenyl]ethyl]benzamide

N-[2-[4-[(2R,3S)-2,3-dihydroxy-3-methyl-4-oxobutoxy]phenyl]ethyl]benzamide (PubChem CID 162820279) has the molecular formula C20H23NO5 and a molecular weight of 357.41 g/mol. Its IUPAC name is N-[2-[4-[(2R,3S)-2,3-dihydroxy-3-methyl-4-oxobutoxy]phenyl]ethyl]benzamide.

Molecular Properties

Compound NameN-[2-[4-[(2R,3S)-2,3-dihydroxy-3-methyl-4-oxobutoxy]phenyl]ethyl]benzamide
PubChem CID162820279
Molecular FormulaC20H23NO5
Molecular Weight357.41 g/mol
Exact Mass357.16
IUPAC NameN-[2-[4-[(2R,3S)-2,3-dihydroxy-3-methyl-4-oxobutoxy]phenyl]ethyl]benzamide
SMILESC[C@@](O)(C=O)[C@H](O)COc1ccc(CCNC(=O)c2ccccc2)cc1
InChIInChI=1S/C20H23NO5/c1-20(25,14-22)18(23)13-26-17-9-7-15(8-10-17)11-12-21-19(24)16-5-3-2-4-6-16/h2-10,14,18,23,25H,11-13H2,1H3,(H,21,24)/t18-,20-/m1/s1
InChIKeySWCGHBCMQFDCAH-UYAOXDASSA-N
XLogP1.35
TPSA95.86 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.41
LogP ≤ 51.35
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

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Related Compounds

N-[2-(4-ethoxyphenyl)ethyl]benzamide
CID 110788107
4-(2-methoxyethoxy)-N-(2-phenylethyl)benzamide
CID 15943281
N-[2-(4-tert-butylphenyl)ethyl]-4-(4-phenylmethoxyphenyl)benzamide
CID 139904878
4-(2-methylprop-2-enoxy)-N-(2-phenylethyl)benzamide
CID 17123750
1-N,4-N-bis(2-phenylethyl)benzene-1,4-dicarboxamide
CID 984633
4-(2-ethoxyethoxy)-N-(2-phenylethyl)benzamide
CID 17112545
N-(3-hydroxy-4,4-dimethylpentyl)benzamide
CID 90523327
4-ethyl-N-(2-phenylethyl)benzamide
CID 11841446
N-butyl-4-[(3R)-3-[(2-hydroxy-3-phenoxypropyl)amino]butyl]benzamide
CID 67905497
N-[2-(4-methoxyphenyl)ethyl]-3-phenylbenzamide
CID 117087730
3-N-[(2S,3R)-3-hydroxy-4-[2-(4-methoxyphenyl)ethylamino]-2-phenylbutan-2-yl]-1-N-[2-(4-methylphenyl)ethyl]benzene-1,3-dicarboxamide
CID 68727632
4-formyl-N-(2-phenylethyl)benzamide
CID 12773386

Frequently Asked Questions

What is the IUPAC name of N-[2-[4-[(2R,3S)-2,3-dihydroxy-3-methyl-4-oxobutoxy]phenyl]ethyl]benzamide?
The IUPAC name of N-[2-[4-[(2R,3S)-2,3-dihydroxy-3-methyl-4-oxobutoxy]phenyl]ethyl]benzamide (CID 162820279) is N-[2-[4-[(2R,3S)-2,3-dihydroxy-3-methyl-4-oxobutoxy]phenyl]ethyl]benzamide.
What is the SMILES notation for N-[2-[4-[(2R,3S)-2,3-dihydroxy-3-methyl-4-oxobutoxy]phenyl]ethyl]benzamide?
The canonical SMILES for N-[2-[4-[(2R,3S)-2,3-dihydroxy-3-methyl-4-oxobutoxy]phenyl]ethyl]benzamide is C[C@@](O)(C=O)[C@H](O)COc1ccc(CCNC(=O)c2ccccc2)cc1.
What is the InChIKey of N-[2-[4-[(2R,3S)-2,3-dihydroxy-3-methyl-4-oxobutoxy]phenyl]ethyl]benzamide?
The InChIKey is SWCGHBCMQFDCAH-UYAOXDASSA-N. The full InChI is InChI=1S/C20H23NO5/c1-20(25,14-22)18(23)13-26-17-9-7-15(8-10-17)11-12-21-19(24)16-5-3-2-4-6-16/h2-10,14,18,23,25H,11-13H2,1H3,(H,21,24)/t18-,20-/m1/s1.
What are the key properties of N-[2-[4-[(2R,3S)-2,3-dihydroxy-3-methyl-4-oxobutoxy]phenyl]ethyl]benzamide?
N-[2-[4-[(2R,3S)-2,3-dihydroxy-3-methyl-4-oxobutoxy]phenyl]ethyl]benzamide has a molecular weight of 357.41 g/mol, XLogP of 1.35, 9 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[4-[(2R,3S)-2,3-dihydroxy-3-methyl-4-oxobutoxy]phenyl]ethyl]benzamide is sourced from PubChem (CID 162820279), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).