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

C16H23NO2 — CID 71399566

IUPAC2-hydroxy-4-phenyl-N,N-di(propan-2-yl)but-3-enamide
SMILESCC(C)N(C(=O)C(O)C=Cc1ccccc1)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
InChIKeyWZGJDBJNFQDYCM-UHFFFAOYSA-N
MW261.37 g/mol
LogP2.71
Rot. Bonds5

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

2-hydroxy-4-phenyl-N,N-di(propan-2-yl)but-3-enamide (PubChem CID 71399566) has the molecular formula C16H23NO2 and a molecular weight of 261.37 g/mol. Its IUPAC name is 2-hydroxy-4-phenyl-N,N-di(propan-2-yl)but-3-enamide.

Molecular Properties

Compound Name2-hydroxy-4-phenyl-N,N-di(propan-2-yl)but-3-enamide
PubChem CID71399566
Molecular FormulaC16H23NO2
Molecular Weight261.37 g/mol
Exact Mass261.17
IUPAC Name2-hydroxy-4-phenyl-N,N-di(propan-2-yl)but-3-enamide
SMILESCC(C)N(C(=O)C(O)C=Cc1ccccc1)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
InChIKeyWZGJDBJNFQDYCM-UHFFFAOYSA-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

(E,2S)-N,N-dibenzyl-2-hydroxy-4-phenylbut-3-enamide
CID 138982111
[(E,2S)-4-phenylbut-3-en-2-yl] N,N-di(propan-2-yl)carbamate
CID 15110199
(Z,2R)-4-phenylbut-3-en-2-ol
CID 11457765
(E)-2-oxo-4-phenyl-N,N-di(propan-2-yl)but-3-enamide
CID 11470935
ethyl (Z)-2-hydroxy-4-phenylbut-3-enoate
CID 102348217
[(E,3S)-5,5-dimethyl-4-oxo-1-phenylhex-1-en-3-yl] N,N-di(propan-2-yl)carbamate
CID 10736314
(Z)-2-methyl-4-phenylbut-3-enethioic S-acid
CID 118703780
methyl 3-hydroxy-2-methylidene-5-phenylpent-4-enoate
CID 71340290
(2R)-2-phenyl-N,N-di(propan-2-yl)propanamide
CID 15064517
trimethyl(2-phenylethenyl)phosphanium
CID 69015838
3-phenylprop-2-ene-1,1-diol
CID 54432533
(E,2R,3R)-3-hydroxy-2-methyl-1,5-diphenylpent-4-en-1-one
CID 15271770

Frequently Asked Questions

What is the IUPAC name of 2-hydroxy-4-phenyl-N,N-di(propan-2-yl)but-3-enamide?
The IUPAC name of 2-hydroxy-4-phenyl-N,N-di(propan-2-yl)but-3-enamide (CID 71399566) is 2-hydroxy-4-phenyl-N,N-di(propan-2-yl)but-3-enamide.
What is the SMILES notation for 2-hydroxy-4-phenyl-N,N-di(propan-2-yl)but-3-enamide?
The canonical SMILES for 2-hydroxy-4-phenyl-N,N-di(propan-2-yl)but-3-enamide is CC(C)N(C(=O)C(O)C=Cc1ccccc1)C(C)C.
What is the InChIKey of 2-hydroxy-4-phenyl-N,N-di(propan-2-yl)but-3-enamide?
The InChIKey is WZGJDBJNFQDYCM-UHFFFAOYSA-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.
What are the key properties of 2-hydroxy-4-phenyl-N,N-di(propan-2-yl)but-3-enamide?
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 2-hydroxy-4-phenyl-N,N-di(propan-2-yl)but-3-enamide is sourced from PubChem (CID 71399566), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).