N-[(2R)-1,4-dihydroxybutan-2-yl]-2,3-bis(phenylmethoxy)benzamide

C25H27NO5 — CID 54474953

IUPACN-[(2R)-1,4-dihydroxybutan-2-yl]-2,3-bis(phenylmethoxy)benzamide
SMILESO=C(N[C@@H](CO)CCO)c1cccc(OCc2ccccc2)c1OCc1ccccc1
InChIInChI=1S/C25H27NO5/c27-15-14-21(16-28)26-25(29)22-12-7-13-23(30-17-19-8-3-1-4-9-19)24(22)31-18-20-10-5-2-6-11-20/h1-13,21,27-28H,14-18H2,(H,26,29)/t21-/m1/s1
InChIKeyXKXMUYPWWOLAPP-OAQYLSRUSA-N
MW421.49 g/mol
LogP3.32
Rot. Bonds11

About N-[(2R)-1,4-dihydroxybutan-2-yl]-2,3-bis(phenylmethoxy)benzamide

N-[(2R)-1,4-dihydroxybutan-2-yl]-2,3-bis(phenylmethoxy)benzamide (PubChem CID 54474953) has the molecular formula C25H27NO5 and a molecular weight of 421.49 g/mol. Its IUPAC name is N-[(2R)-1,4-dihydroxybutan-2-yl]-2,3-bis(phenylmethoxy)benzamide.

Molecular Properties

Compound NameN-[(2R)-1,4-dihydroxybutan-2-yl]-2,3-bis(phenylmethoxy)benzamide
PubChem CID54474953
Molecular FormulaC25H27NO5
Molecular Weight421.49 g/mol
Exact Mass421.19
IUPAC NameN-[(2R)-1,4-dihydroxybutan-2-yl]-2,3-bis(phenylmethoxy)benzamide
SMILESO=C(N[C@@H](CO)CCO)c1cccc(OCc2ccccc2)c1OCc1ccccc1
InChIInChI=1S/C25H27NO5/c27-15-14-21(16-28)26-25(29)22-12-7-13-23(30-17-19-8-3-1-4-9-19)24(22)31-18-20-10-5-2-6-11-20/h1-13,21,27-28H,14-18H2,(H,26,29)/t21-/m1/s1
InChIKeyXKXMUYPWWOLAPP-OAQYLSRUSA-N
XLogP3.32
TPSA88.02 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds11
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500421.49
LogP ≤ 53.32
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

benzyl (2S)-2-[[2,3-bis(phenylmethoxy)benzoyl]amino]-3-hydroxypropanoate
CID 51002849
N-[(2R)-3-amino-2-[[2,3-bis(phenylmethoxy)benzoyl]amino]-3-oxopropyl]-2,3-bis(phenylmethoxy)benzamide
CID 57204258
N-[(1S)-1,5-dicyanopentyl]-2,3-bis(phenylmethoxy)benzamide
CID 54362909
methyl 2-[2-[2,3-bis(phenylmethoxy)benzoyl]hydrazinyl]acetate
CID 138654400
N-[(2R)-1-[2-[2-[2-[[(2R)-2-[[2,3-bis(phenylmethoxy)benzoyl]amino]-3-phenylpropanoyl]amino]ethoxy]ethoxy]ethylamino]-1-oxo-3-phenylpropan-2-yl]-2,3-bis(phenylmethoxy)benzamide
CID 46211303
methyl 3-[2,3-bis(phenylmethoxy)phenyl]-3-oxopropanoate
CID 19929834
N-(5-cyano-2-pyridinyl)-2,3-bis(phenylmethoxy)benzamide
CID 69301058
2,3-dihydroxy-N-[(2S)-1-hydroxy-3-phenylpropan-2-yl]benzamide
CID 102673829
N-ethyl-N-hydroxy-2,3-bis(phenylmethoxy)benzamide
CID 14717390
N-benzyl-2-[[4-[[2-(benzylcarbamoyl)phenoxy]methyl]phenyl]methoxy]benzamide
CID 101339913
(2S,3R)-3-hydroxy-2-[(2-phenylmethoxybenzoyl)amino]butanoic acid
CID 54368898
3-hydroxy-2-phenylmethoxybenzoic acid
CID 67658329

Frequently Asked Questions

What is the IUPAC name of N-[(2R)-1,4-dihydroxybutan-2-yl]-2,3-bis(phenylmethoxy)benzamide?
The IUPAC name of N-[(2R)-1,4-dihydroxybutan-2-yl]-2,3-bis(phenylmethoxy)benzamide (CID 54474953) is N-[(2R)-1,4-dihydroxybutan-2-yl]-2,3-bis(phenylmethoxy)benzamide.
What is the SMILES notation for N-[(2R)-1,4-dihydroxybutan-2-yl]-2,3-bis(phenylmethoxy)benzamide?
The canonical SMILES for N-[(2R)-1,4-dihydroxybutan-2-yl]-2,3-bis(phenylmethoxy)benzamide is O=C(N[C@@H](CO)CCO)c1cccc(OCc2ccccc2)c1OCc1ccccc1.
What is the InChIKey of N-[(2R)-1,4-dihydroxybutan-2-yl]-2,3-bis(phenylmethoxy)benzamide?
The InChIKey is XKXMUYPWWOLAPP-OAQYLSRUSA-N. The full InChI is InChI=1S/C25H27NO5/c27-15-14-21(16-28)26-25(29)22-12-7-13-23(30-17-19-8-3-1-4-9-19)24(22)31-18-20-10-5-2-6-11-20/h1-13,21,27-28H,14-18H2,(H,26,29)/t21-/m1/s1.
What are the key properties of N-[(2R)-1,4-dihydroxybutan-2-yl]-2,3-bis(phenylmethoxy)benzamide?
N-[(2R)-1,4-dihydroxybutan-2-yl]-2,3-bis(phenylmethoxy)benzamide has a molecular weight of 421.49 g/mol, XLogP of 3.32, 11 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2R)-1,4-dihydroxybutan-2-yl]-2,3-bis(phenylmethoxy)benzamide is sourced from PubChem (CID 54474953), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).