(E,2R)-2-hydroxy-4-phenyl-N,N-di(propan-2-yl)but-3-enamide

C16H23NO2 — CID 134917851

IUPAC(E,2R)-2-hydroxy-4-phenyl-N,N-di(propan-2-yl)but-3-enamide
SMILESCC(C)N(C(=O)[C@H](O)/C=C/c1ccccc1)C(C)C
InChIInChI=1S/C16H23NO2/c1-12(2)17(13(3)4)16(19)15(18)11-10-14-8-6-5-7-9-14/h5-13,15,18H,1-4H3/b11-10+/t15-/m1/s1
InChIKeyWZGJDBJNFQDYCM-AUECHBEKSA-N
MW261.37 g/mol
LogP2.71
Rot. Bonds5

About (E,2R)-2-hydroxy-4-phenyl-N,N-di(propan-2-yl)but-3-enamide

(E,2R)-2-hydroxy-4-phenyl-N,N-di(propan-2-yl)but-3-enamide (PubChem CID 134917851) has the molecular formula C16H23NO2 and a molecular weight of 261.37 g/mol. Its IUPAC name is (E,2R)-2-hydroxy-4-phenyl-N,N-di(propan-2-yl)but-3-enamide.

Molecular Properties

Compound Name(E,2R)-2-hydroxy-4-phenyl-N,N-di(propan-2-yl)but-3-enamide
PubChem CID134917851
Molecular FormulaC16H23NO2
Molecular Weight261.37 g/mol
Exact Mass261.17
IUPAC Name(E,2R)-2-hydroxy-4-phenyl-N,N-di(propan-2-yl)but-3-enamide
SMILESCC(C)N(C(=O)[C@H](O)/C=C/c1ccccc1)C(C)C
InChIInChI=1S/C16H23NO2/c1-12(2)17(13(3)4)16(19)15(18)11-10-14-8-6-5-7-9-14/h5-13,15,18H,1-4H3/b11-10+/t15-/m1/s1
InChIKeyWZGJDBJNFQDYCM-AUECHBEKSA-N
XLogP2.71
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.37
LogP ≤ 52.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-Butenamide, N,N-bis(2-hydroxyethyl)-3-methyl-4-phenyl-
CID 6442279
N-[(E,2S,3R)-1,3-dihydroxy-5-phenylpent-4-en-2-yl]butanamide
CID 10539494
1-(4-Benzylpiperidin-1-yl)-2-hydroxypropan-1-one
CID 10705650
N-[(E,2S,3R)-1,3-dihydroxy-5-phenylpent-4-en-2-yl]acetamide
CID 10752241
(E)-N-tert-butyl-2-hydroxy-4-phenylbut-3-enamide
CID 11276349
N-(2-Hydroxyethyl)-N-[(2E)-3-phenylprop-2-EN-1-YL]acetamide
CID 50973533
(E,2S)-N-tert-butyl-4-(2-fluorophenyl)-2-hydroxybut-3-enamide
CID 138982597
(E,2S)-N-tert-butyl-4-(4-fluorophenyl)-2-hydroxybut-3-enamide
CID 138982598
(E,2S)-N-tert-butyl-4-(3-fluorophenyl)-2-hydroxybut-3-enamide
CID 138982786
(E)-N-tert-butyl-2-hydroxy-3-methyl-4-phenylbut-3-enamide
CID 101254347
3,3,3-trifluoro-2-hydroxy-N-(3-phenylpropyl)-N-propylpropanamide
CID 155262162
(E,2S)-N-tert-butyl-2-hydroxy-4-phenylbut-3-enamide
CID 11608331

Frequently Asked Questions

What is the IUPAC name of (E,2R)-2-hydroxy-4-phenyl-N,N-di(propan-2-yl)but-3-enamide?
The IUPAC name of (E,2R)-2-hydroxy-4-phenyl-N,N-di(propan-2-yl)but-3-enamide (CID 134917851) is (E,2R)-2-hydroxy-4-phenyl-N,N-di(propan-2-yl)but-3-enamide.
What is the SMILES notation for (E,2R)-2-hydroxy-4-phenyl-N,N-di(propan-2-yl)but-3-enamide?
The canonical SMILES for (E,2R)-2-hydroxy-4-phenyl-N,N-di(propan-2-yl)but-3-enamide is CC(C)N(C(=O)[C@H](O)/C=C/c1ccccc1)C(C)C.
What is the InChIKey of (E,2R)-2-hydroxy-4-phenyl-N,N-di(propan-2-yl)but-3-enamide?
The InChIKey is WZGJDBJNFQDYCM-AUECHBEKSA-N. The full InChI is InChI=1S/C16H23NO2/c1-12(2)17(13(3)4)16(19)15(18)11-10-14-8-6-5-7-9-14/h5-13,15,18H,1-4H3/b11-10+/t15-/m1/s1.
What are the key properties of (E,2R)-2-hydroxy-4-phenyl-N,N-di(propan-2-yl)but-3-enamide?
(E,2R)-2-hydroxy-4-phenyl-N,N-di(propan-2-yl)but-3-enamide has a molecular weight of 261.37 g/mol, XLogP of 2.71, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (E,2R)-2-hydroxy-4-phenyl-N,N-di(propan-2-yl)but-3-enamide is sourced from PubChem (CID 134917851), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).