N-[(E,2S,3R)-1,3-dihydroxy-5-phenylpent-4-en-2-yl]butanamide

C15H21NO3 — CID 10539494

IUPACN-[(E,2S,3R)-1,3-dihydroxy-5-phenylpent-4-en-2-yl]butanamide
SMILESCCCC(=O)N[C@@H](CO)[C@H](O)/C=C/c1ccccc1
InChIInChI=1S/C15H21NO3/c1-2-6-15(19)16-13(11-17)14(18)10-9-12-7-4-3-5-8-12/h3-5,7-10,13-14,17-18H,2,6,11H2,1H3,(H,16,19)/b10-9+/t13-,14+/m0/s1
InChIKeyHUGXFFYPPRXZGA-XACNLCELSA-N
MW263.34 g/mol
LogP1.34
Rot. Bonds7

About N-[(E,2S,3R)-1,3-dihydroxy-5-phenylpent-4-en-2-yl]butanamide

N-[(E,2S,3R)-1,3-dihydroxy-5-phenylpent-4-en-2-yl]butanamide (PubChem CID 10539494) has the molecular formula C15H21NO3 and a molecular weight of 263.34 g/mol. Its IUPAC name is N-[(E,2S,3R)-1,3-dihydroxy-5-phenylpent-4-en-2-yl]butanamide.

Molecular Properties

Compound NameN-[(E,2S,3R)-1,3-dihydroxy-5-phenylpent-4-en-2-yl]butanamide
PubChem CID10539494
Molecular FormulaC15H21NO3
Molecular Weight263.34 g/mol
Exact Mass263.15
IUPAC NameN-[(E,2S,3R)-1,3-dihydroxy-5-phenylpent-4-en-2-yl]butanamide
SMILESCCCC(=O)N[C@@H](CO)[C@H](O)/C=C/c1ccccc1
InChIInChI=1S/C15H21NO3/c1-2-6-15(19)16-13(11-17)14(18)10-9-12-7-4-3-5-8-12/h3-5,7-10,13-14,17-18H,2,6,11H2,1H3,(H,16,19)/b10-9+/t13-,14+/m0/s1
InChIKeyHUGXFFYPPRXZGA-XACNLCELSA-N
XLogP1.34
TPSA69.56 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.34
LogP ≤ 51.34
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[(E,2S,3R)-1,3-dihydroxy-5-phenylpent-4-en-2-yl]butanamide?
The IUPAC name of N-[(E,2S,3R)-1,3-dihydroxy-5-phenylpent-4-en-2-yl]butanamide (CID 10539494) is N-[(E,2S,3R)-1,3-dihydroxy-5-phenylpent-4-en-2-yl]butanamide.
What is the SMILES notation for N-[(E,2S,3R)-1,3-dihydroxy-5-phenylpent-4-en-2-yl]butanamide?
The canonical SMILES for N-[(E,2S,3R)-1,3-dihydroxy-5-phenylpent-4-en-2-yl]butanamide is CCCC(=O)N[C@@H](CO)[C@H](O)/C=C/c1ccccc1.
What is the InChIKey of N-[(E,2S,3R)-1,3-dihydroxy-5-phenylpent-4-en-2-yl]butanamide?
The InChIKey is HUGXFFYPPRXZGA-XACNLCELSA-N. The full InChI is InChI=1S/C15H21NO3/c1-2-6-15(19)16-13(11-17)14(18)10-9-12-7-4-3-5-8-12/h3-5,7-10,13-14,17-18H,2,6,11H2,1H3,(H,16,19)/b10-9+/t13-,14+/m0/s1.
What are the key properties of N-[(E,2S,3R)-1,3-dihydroxy-5-phenylpent-4-en-2-yl]butanamide?
N-[(E,2S,3R)-1,3-dihydroxy-5-phenylpent-4-en-2-yl]butanamide has a molecular weight of 263.34 g/mol, XLogP of 1.34, 7 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-phenylpent-4-en-2-yl]butanamide is sourced from PubChem (CID 10539494), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).