(1S)-1-[4-[3-ethenyl-4-[(Z)-prop-1-enyl]phenyl]phenyl]-1-(methylamino)propan-2-one

C21H23NO — CID 142235792

IUPAC(1S)-1-[4-[3-ethenyl-4-[(Z)-prop-1-enyl]phenyl]phenyl]-1-(methylamino)propan-2-one
SMILESC=Cc1cc(-c2ccc([C@H](NC)C(C)=O)cc2)ccc1/C=C\C
InChIInChI=1S/C21H23NO/c1-5-7-17-10-13-20(14-16(17)6-2)18-8-11-19(12-9-18)21(22-4)15(3)23/h5-14,21-22H,2H2,1,3-4H3/b7-5-/t21-/m1/s1
InChIKeyDQHHERWFGOJUDH-JEUZPXFCSA-N
MW305.42 g/mol
LogP4.88
Rot. Bonds6

About (1S)-1-[4-[3-ethenyl-4-[(Z)-prop-1-enyl]phenyl]phenyl]-1-(methylamino)propan-2-one

(1S)-1-[4-[3-ethenyl-4-[(Z)-prop-1-enyl]phenyl]phenyl]-1-(methylamino)propan-2-one (PubChem CID 142235792) has the molecular formula C21H23NO and a molecular weight of 305.42 g/mol. Its IUPAC name is (1S)-1-[4-[3-ethenyl-4-[(Z)-prop-1-enyl]phenyl]phenyl]-1-(methylamino)propan-2-one.

Molecular Properties

Compound Name(1S)-1-[4-[3-ethenyl-4-[(Z)-prop-1-enyl]phenyl]phenyl]-1-(methylamino)propan-2-one
PubChem CID142235792
Molecular FormulaC21H23NO
Molecular Weight305.42 g/mol
Exact Mass305.18
IUPAC Name(1S)-1-[4-[3-ethenyl-4-[(Z)-prop-1-enyl]phenyl]phenyl]-1-(methylamino)propan-2-one
SMILESC=Cc1cc(-c2ccc([C@H](NC)C(C)=O)cc2)ccc1/C=C\C
InChIInChI=1S/C21H23NO/c1-5-7-17-10-13-20(14-16(17)6-2)18-8-11-19(12-9-18)21(22-4)15(3)23/h5-14,21-22H,2H2,1,3-4H3/b7-5-/t21-/m1/s1
InChIKeyDQHHERWFGOJUDH-JEUZPXFCSA-N
XLogP4.88
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.42
LogP ≤ 54.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (1S)-1-[4-[3-ethenyl-4-[(Z)-prop-1-enyl]phenyl]phenyl]-1-(methylamino)propan-2-one?
The IUPAC name of (1S)-1-[4-[3-ethenyl-4-[(Z)-prop-1-enyl]phenyl]phenyl]-1-(methylamino)propan-2-one (CID 142235792) is (1S)-1-[4-[3-ethenyl-4-[(Z)-prop-1-enyl]phenyl]phenyl]-1-(methylamino)propan-2-one.
What is the SMILES notation for (1S)-1-[4-[3-ethenyl-4-[(Z)-prop-1-enyl]phenyl]phenyl]-1-(methylamino)propan-2-one?
The canonical SMILES for (1S)-1-[4-[3-ethenyl-4-[(Z)-prop-1-enyl]phenyl]phenyl]-1-(methylamino)propan-2-one is C=Cc1cc(-c2ccc([C@H](NC)C(C)=O)cc2)ccc1/C=C\C.
What is the InChIKey of (1S)-1-[4-[3-ethenyl-4-[(Z)-prop-1-enyl]phenyl]phenyl]-1-(methylamino)propan-2-one?
The InChIKey is DQHHERWFGOJUDH-JEUZPXFCSA-N. The full InChI is InChI=1S/C21H23NO/c1-5-7-17-10-13-20(14-16(17)6-2)18-8-11-19(12-9-18)21(22-4)15(3)23/h5-14,21-22H,2H2,1,3-4H3/b7-5-/t21-/m1/s1.
What are the key properties of (1S)-1-[4-[3-ethenyl-4-[(Z)-prop-1-enyl]phenyl]phenyl]-1-(methylamino)propan-2-one?
(1S)-1-[4-[3-ethenyl-4-[(Z)-prop-1-enyl]phenyl]phenyl]-1-(methylamino)propan-2-one has a molecular weight of 305.42 g/mol, XLogP of 4.88, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1S)-1-[4-[3-ethenyl-4-[(Z)-prop-1-enyl]phenyl]phenyl]-1-(methylamino)propan-2-one is sourced from PubChem (CID 142235792), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).