(E)-N-[[(2R)-oxolan-2-yl]methyl]-3-phenyl-N-[(E)-3-phenylprop-2-enyl]prop-2-en-1-amine

C23H27NO — CID 7323694

IUPAC(E)-N-[[(2R)-oxolan-2-yl]methyl]-3-phenyl-N-[(E)-3-phenylprop-2-enyl]prop-2-en-1-amine
SMILESC(=C/c1ccccc1)\CN(C/C=C/c1ccccc1)C[C@H]1CCCO1
InChIInChI=1S/C23H27NO/c1-3-10-21(11-4-1)14-7-17-24(20-23-16-9-19-25-23)18-8-15-22-12-5-2-6-13-22/h1-8,10-15,23H,9,16-20H2/b14-7+,15-8+/t23-/m1/s1
InChIKeyCKKCAEVOVWDVFC-IJVSWKGXSA-N
MW333.48 g/mol
LogP4.89
Rot. Bonds8

About (E)-N-[[(2R)-oxolan-2-yl]methyl]-3-phenyl-N-[(E)-3-phenylprop-2-enyl]prop-2-en-1-amine

(E)-N-[[(2R)-oxolan-2-yl]methyl]-3-phenyl-N-[(E)-3-phenylprop-2-enyl]prop-2-en-1-amine (PubChem CID 7323694) has the molecular formula C23H27NO and a molecular weight of 333.48 g/mol. Its IUPAC name is (E)-N-[[(2R)-oxolan-2-yl]methyl]-3-phenyl-N-[(E)-3-phenylprop-2-enyl]prop-2-en-1-amine.

Molecular Properties

Compound Name(E)-N-[[(2R)-oxolan-2-yl]methyl]-3-phenyl-N-[(E)-3-phenylprop-2-enyl]prop-2-en-1-amine
PubChem CID7323694
Molecular FormulaC23H27NO
Molecular Weight333.48 g/mol
Exact Mass333.21
IUPAC Name(E)-N-[[(2R)-oxolan-2-yl]methyl]-3-phenyl-N-[(E)-3-phenylprop-2-enyl]prop-2-en-1-amine
SMILESC(=C/c1ccccc1)\CN(C/C=C/c1ccccc1)C[C@H]1CCCO1
InChIInChI=1S/C23H27NO/c1-3-10-21(11-4-1)14-7-17-24(20-23-16-9-19-25-23)18-8-15-22-12-5-2-6-13-22/h1-8,10-15,23H,9,16-20H2/b14-7+,15-8+/t23-/m1/s1
InChIKeyCKKCAEVOVWDVFC-IJVSWKGXSA-N
XLogP4.89
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.48
LogP ≤ 54.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

N-[(3-iodophenyl)methyl]-N-(oxolan-2-ylmethyl)-3-phenylprop-2-en-1-amine
CID 23995556
N-[(5-methylpyrazin-2-yl)methyl]-N-(oxolan-2-ylmethyl)-3-phenylprop-2-en-1-amine
CID 171139925
(E)-N-[(3-methyl-4-pyridinyl)methyl]-N-[[(2S)-oxolan-2-yl]methyl]-3-phenylprop-2-en-1-amine
CID 124749683
3-(1,2-oxazol-3-ylmethyl)-1-[[(2R)-oxolan-2-yl]methyl]-1-[(E)-3-phenylprop-2-enyl]urea
CID 126432973
2-(2-methyl-1,3-thiazol-4-yl)-N-(oxolan-2-ylmethyl)-N-(3-phenylprop-2-enyl)acetamide
CID 91940786
2-(2-methyl-1,3-thiazol-4-yl)-N-(oxolan-2-ylmethyl)-N-[(E)-3-phenylprop-2-enyl]acetamide
CID 72931700
2-(2,6-dioxo-1,3-diazinan-1-yl)-N-(oxolan-2-ylmethyl)-N-(3-phenylprop-2-enyl)acetamide
CID 91940757
2-ethyl-4-methyl-N-(oxolan-2-ylmethyl)-N-[(E)-3-phenylprop-2-enyl]-1,3-thiazole-5-carboxamide
CID 74231482
N-(oxolan-2-ylmethyl)-N-[(E)-3-phenylprop-2-enyl]-5-propyl-1H-pyrazole-3-carboxamide
CID 131949751
2-cyclopropyl-6-oxo-N-[[(2R)-oxolan-2-yl]methyl]-N-[(E)-3-phenylprop-2-enyl]-1H-pyrimidine-5-carboxamide
CID 97143830
2-cyclopropyl-6-oxo-N-(oxolan-2-ylmethyl)-N-[(E)-3-phenylprop-2-enyl]-1H-pyrimidine-5-carboxamide
CID 70708734
1-methyl-N-(oxolan-2-ylmethyl)-N-[(E)-3-phenylprop-2-enyl]benzimidazole-5-carboxamide
CID 74230801

Frequently Asked Questions

What is the IUPAC name of (E)-N-[[(2R)-oxolan-2-yl]methyl]-3-phenyl-N-[(E)-3-phenylprop-2-enyl]prop-2-en-1-amine?
The IUPAC name of (E)-N-[[(2R)-oxolan-2-yl]methyl]-3-phenyl-N-[(E)-3-phenylprop-2-enyl]prop-2-en-1-amine (CID 7323694) is (E)-N-[[(2R)-oxolan-2-yl]methyl]-3-phenyl-N-[(E)-3-phenylprop-2-enyl]prop-2-en-1-amine.
What is the SMILES notation for (E)-N-[[(2R)-oxolan-2-yl]methyl]-3-phenyl-N-[(E)-3-phenylprop-2-enyl]prop-2-en-1-amine?
The canonical SMILES for (E)-N-[[(2R)-oxolan-2-yl]methyl]-3-phenyl-N-[(E)-3-phenylprop-2-enyl]prop-2-en-1-amine is C(=C/c1ccccc1)\CN(C/C=C/c1ccccc1)C[C@H]1CCCO1.
What is the InChIKey of (E)-N-[[(2R)-oxolan-2-yl]methyl]-3-phenyl-N-[(E)-3-phenylprop-2-enyl]prop-2-en-1-amine?
The InChIKey is CKKCAEVOVWDVFC-IJVSWKGXSA-N. The full InChI is InChI=1S/C23H27NO/c1-3-10-21(11-4-1)14-7-17-24(20-23-16-9-19-25-23)18-8-15-22-12-5-2-6-13-22/h1-8,10-15,23H,9,16-20H2/b14-7+,15-8+/t23-/m1/s1.
What are the key properties of (E)-N-[[(2R)-oxolan-2-yl]methyl]-3-phenyl-N-[(E)-3-phenylprop-2-enyl]prop-2-en-1-amine?
(E)-N-[[(2R)-oxolan-2-yl]methyl]-3-phenyl-N-[(E)-3-phenylprop-2-enyl]prop-2-en-1-amine has a molecular weight of 333.48 g/mol, XLogP of 4.89, 8 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-N-[[(2R)-oxolan-2-yl]methyl]-3-phenyl-N-[(E)-3-phenylprop-2-enyl]prop-2-en-1-amine is sourced from PubChem (CID 7323694), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).