N-[(E,2S,3R)-1,3-dihydroxy-5-(4-phenylphenyl)pent-4-en-2-yl]acetamide

C19H21NO3 — CID 118714809

IUPACN-[(E,2S,3R)-1,3-dihydroxy-5-(4-phenylphenyl)pent-4-en-2-yl]acetamide
SMILESCC(=O)N[C@@H](CO)[C@H](O)/C=C/c1ccc(-c2ccccc2)cc1
InChIInChI=1S/C19H21NO3/c1-14(22)20-18(13-21)19(23)12-9-15-7-10-17(11-8-15)16-5-3-2-4-6-16/h2-12,18-19,21,23H,13H2,1H3,(H,20,22)/b12-9+/t18-,19+/m0/s1
InChIKeyRWJPFAJZRWOANF-MLQCUJFCSA-N
MW311.38 g/mol
LogP2.22
Rot. Bonds6

About N-[(E,2S,3R)-1,3-dihydroxy-5-(4-phenylphenyl)pent-4-en-2-yl]acetamide

N-[(E,2S,3R)-1,3-dihydroxy-5-(4-phenylphenyl)pent-4-en-2-yl]acetamide (PubChem CID 118714809) has the molecular formula C19H21NO3 and a molecular weight of 311.38 g/mol. Its IUPAC name is N-[(E,2S,3R)-1,3-dihydroxy-5-(4-phenylphenyl)pent-4-en-2-yl]acetamide.

Molecular Properties

Compound NameN-[(E,2S,3R)-1,3-dihydroxy-5-(4-phenylphenyl)pent-4-en-2-yl]acetamide
PubChem CID118714809
Molecular FormulaC19H21NO3
Molecular Weight311.38 g/mol
Exact Mass311.15
IUPAC NameN-[(E,2S,3R)-1,3-dihydroxy-5-(4-phenylphenyl)pent-4-en-2-yl]acetamide
SMILESCC(=O)N[C@@H](CO)[C@H](O)/C=C/c1ccc(-c2ccccc2)cc1
InChIInChI=1S/C19H21NO3/c1-14(22)20-18(13-21)19(23)12-9-15-7-10-17(11-8-15)16-5-3-2-4-6-16/h2-12,18-19,21,23H,13H2,1H3,(H,20,22)/b12-9+/t18-,19+/m0/s1
InChIKeyRWJPFAJZRWOANF-MLQCUJFCSA-N
XLogP2.22
TPSA69.56 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.38
LogP ≤ 52.22
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(E,2S,3R)-1,3-dihydroxy-5-phenylpent-4-en-2-yl]acetamide
CID 10752241
N-[(2R,3S)-1,3-dihydroxy-5-(4-pentylphenyl)pent-4-en-2-yl]acetamide
CID 91326925
tert-butyl N-[(E,2R,3S)-1,3-dihydroxy-5-(4-methylphenyl)pent-4-en-2-yl]carbamate
CID 118199463
[4-[(E,3S,4R)-3,5-dihydroxy-4-[(2-methylpropan-2-yl)oxycarbonylamino]pent-1-enyl]phenyl] acetate
CID 56839830
1-(1,3-dihydroxy-5-phenylpent-4-en-2-yl)-3-hexylurea
CID 142667053
(E,2R,3S)-2-(methylamino)-5-(4-methylphenyl)pent-4-ene-1,3-diol
CID 139427671
N-(1,3-dihydroxy-1-phenylpropan-2-yl)acetamide
CID 11735943
1-butyl-3-(1,3-dihydroxy-5-phenylpent-4-en-2-yl)thiourea
CID 142667039
2-ethyl-4-(4-phenylphenyl)but-3-enoic acid
CID 70478467
1-butyl-3-[5-(4-chlorophenyl)-1,3-dihydroxypent-4-en-2-yl]urea
CID 142667081
N-[(E,2S,3R)-1,3-dihydroxy-5-(4-methoxyphenyl)pent-4-en-2-yl]hexanamide
CID 10734555
tert-butyl N-[1,3-dihydroxy-5-(4-pentoxyphenyl)pent-4-en-2-yl]carbamate
CID 123419275

Frequently Asked Questions

What is the IUPAC name of N-[(E,2S,3R)-1,3-dihydroxy-5-(4-phenylphenyl)pent-4-en-2-yl]acetamide?
The IUPAC name of N-[(E,2S,3R)-1,3-dihydroxy-5-(4-phenylphenyl)pent-4-en-2-yl]acetamide (CID 118714809) is N-[(E,2S,3R)-1,3-dihydroxy-5-(4-phenylphenyl)pent-4-en-2-yl]acetamide.
What is the SMILES notation for N-[(E,2S,3R)-1,3-dihydroxy-5-(4-phenylphenyl)pent-4-en-2-yl]acetamide?
The canonical SMILES for N-[(E,2S,3R)-1,3-dihydroxy-5-(4-phenylphenyl)pent-4-en-2-yl]acetamide is CC(=O)N[C@@H](CO)[C@H](O)/C=C/c1ccc(-c2ccccc2)cc1.
What is the InChIKey of N-[(E,2S,3R)-1,3-dihydroxy-5-(4-phenylphenyl)pent-4-en-2-yl]acetamide?
The InChIKey is RWJPFAJZRWOANF-MLQCUJFCSA-N. The full InChI is InChI=1S/C19H21NO3/c1-14(22)20-18(13-21)19(23)12-9-15-7-10-17(11-8-15)16-5-3-2-4-6-16/h2-12,18-19,21,23H,13H2,1H3,(H,20,22)/b12-9+/t18-,19+/m0/s1.
What are the key properties of N-[(E,2S,3R)-1,3-dihydroxy-5-(4-phenylphenyl)pent-4-en-2-yl]acetamide?
N-[(E,2S,3R)-1,3-dihydroxy-5-(4-phenylphenyl)pent-4-en-2-yl]acetamide has a molecular weight of 311.38 g/mol, XLogP of 2.22, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(E,2S,3R)-1,3-dihydroxy-5-(4-phenylphenyl)pent-4-en-2-yl]acetamide is sourced from PubChem (CID 118714809), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).