(2E)-1-(4-methoxyphenyl)-1-phenyl-2-[(Z)-prop-1-enyl]penta-2,4-dien-1-amine;pentane

C26H35NO — CID 144938327

IUPAC(2E)-1-(4-methoxyphenyl)-1-phenyl-2-[(Z)-prop-1-enyl]penta-2,4-dien-1-amine;pentane
SMILESC=C/C=C(\C=C/C)C(N)(c1ccccc1)c1ccc(OC)cc1.CCCCC
InChIInChI=1S/C21H23NO.C5H12/c1-4-9-17(10-5-2)21(22,18-11-7-6-8-12-18)19-13-15-20(23-3)16-14-19;1-3-5-4-2/h4-16H,1,22H2,2-3H3;3-5H2,1-2H3/b10-5-,17-9+;
InChIKeyMESDAULJBBXHJZ-MLFUFOKMSA-N
MW377.57 g/mol
LogP6.78
Rot. Bonds8

About (2E)-1-(4-methoxyphenyl)-1-phenyl-2-[(Z)-prop-1-enyl]penta-2,4-dien-1-amine;pentane

(2E)-1-(4-methoxyphenyl)-1-phenyl-2-[(Z)-prop-1-enyl]penta-2,4-dien-1-amine;pentane (PubChem CID 144938327) has the molecular formula C26H35NO and a molecular weight of 377.57 g/mol. Its IUPAC name is (2E)-1-(4-methoxyphenyl)-1-phenyl-2-[(Z)-prop-1-enyl]penta-2,4-dien-1-amine;pentane.

Molecular Properties

Compound Name(2E)-1-(4-methoxyphenyl)-1-phenyl-2-[(Z)-prop-1-enyl]penta-2,4-dien-1-amine;pentane
PubChem CID144938327
Molecular FormulaC26H35NO
Molecular Weight377.57 g/mol
Exact Mass377.27
IUPAC Name(2E)-1-(4-methoxyphenyl)-1-phenyl-2-[(Z)-prop-1-enyl]penta-2,4-dien-1-amine;pentane
SMILESC=C/C=C(\C=C/C)C(N)(c1ccccc1)c1ccc(OC)cc1.CCCCC
InChIInChI=1S/C21H23NO.C5H12/c1-4-9-17(10-5-2)21(22,18-11-7-6-8-12-18)19-13-15-20(23-3)16-14-19;1-3-5-4-2/h4-16H,1,22H2,2-3H3;3-5H2,1-2H3/b10-5-,17-9+;
InChIKeyMESDAULJBBXHJZ-MLFUFOKMSA-N
XLogP6.78
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500377.57
LogP ≤ 56.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'polyene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (2E)-1-(4-methoxyphenyl)-1-phenyl-2-[(Z)-prop-1-enyl]penta-2,4-dien-1-amine;pentane?
The IUPAC name of (2E)-1-(4-methoxyphenyl)-1-phenyl-2-[(Z)-prop-1-enyl]penta-2,4-dien-1-amine;pentane (CID 144938327) is (2E)-1-(4-methoxyphenyl)-1-phenyl-2-[(Z)-prop-1-enyl]penta-2,4-dien-1-amine;pentane.
What is the SMILES notation for (2E)-1-(4-methoxyphenyl)-1-phenyl-2-[(Z)-prop-1-enyl]penta-2,4-dien-1-amine;pentane?
The canonical SMILES for (2E)-1-(4-methoxyphenyl)-1-phenyl-2-[(Z)-prop-1-enyl]penta-2,4-dien-1-amine;pentane is C=C/C=C(\C=C/C)C(N)(c1ccccc1)c1ccc(OC)cc1.CCCCC.
What is the InChIKey of (2E)-1-(4-methoxyphenyl)-1-phenyl-2-[(Z)-prop-1-enyl]penta-2,4-dien-1-amine;pentane?
The InChIKey is MESDAULJBBXHJZ-MLFUFOKMSA-N. The full InChI is InChI=1S/C21H23NO.C5H12/c1-4-9-17(10-5-2)21(22,18-11-7-6-8-12-18)19-13-15-20(23-3)16-14-19;1-3-5-4-2/h4-16H,1,22H2,2-3H3;3-5H2,1-2H3/b10-5-,17-9+;.
What are the key properties of (2E)-1-(4-methoxyphenyl)-1-phenyl-2-[(Z)-prop-1-enyl]penta-2,4-dien-1-amine;pentane?
(2E)-1-(4-methoxyphenyl)-1-phenyl-2-[(Z)-prop-1-enyl]penta-2,4-dien-1-amine;pentane has a molecular weight of 377.57 g/mol, XLogP of 6.78, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2E)-1-(4-methoxyphenyl)-1-phenyl-2-[(Z)-prop-1-enyl]penta-2,4-dien-1-amine;pentane is sourced from PubChem (CID 144938327), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).