(E)-N,N-diethyl-3-[4-[6-methoxy-2-(4-methoxyphenyl)-1,2,3,4-tetrahydronaphthalen-1-yl]phenyl]prop-2-enamide

C31H35NO3 — CID 70149469

IUPAC(E)-N,N-diethyl-3-[4-[6-methoxy-2-(4-methoxyphenyl)-1,2,3,4-tetrahydronaphthalen-1-yl]phenyl]prop-2-enamide
SMILESCCN(CC)C(=O)/C=C/c1ccc(C2c3ccc(OC)cc3CCC2c2ccc(OC)cc2)cc1
InChIInChI=1S/C31H35NO3/c1-5-32(6-2)30(33)20-9-22-7-10-24(11-8-22)31-28(23-12-15-26(34-3)16-13-23)18-14-25-21-27(35-4)17-19-29(25)31/h7-13,15-17,19-21,28,31H,5-6,14,18H2,1-4H3/b20-9+
InChIKeyZQRKVCZHBUUYLV-AWQFTUOYSA-N
MW469.63 g/mol
LogP6.45
Rot. Bonds8

About (E)-N,N-diethyl-3-[4-[6-methoxy-2-(4-methoxyphenyl)-1,2,3,4-tetrahydronaphthalen-1-yl]phenyl]prop-2-enamide

(E)-N,N-diethyl-3-[4-[6-methoxy-2-(4-methoxyphenyl)-1,2,3,4-tetrahydronaphthalen-1-yl]phenyl]prop-2-enamide (PubChem CID 70149469) has the molecular formula C31H35NO3 and a molecular weight of 469.63 g/mol. Its IUPAC name is (E)-N,N-diethyl-3-[4-[6-methoxy-2-(4-methoxyphenyl)-1,2,3,4-tetrahydronaphthalen-1-yl]phenyl]prop-2-enamide.

Molecular Properties

Compound Name(E)-N,N-diethyl-3-[4-[6-methoxy-2-(4-methoxyphenyl)-1,2,3,4-tetrahydronaphthalen-1-yl]phenyl]prop-2-enamide
PubChem CID70149469
Molecular FormulaC31H35NO3
Molecular Weight469.63 g/mol
Exact Mass469.26
IUPAC Name(E)-N,N-diethyl-3-[4-[6-methoxy-2-(4-methoxyphenyl)-1,2,3,4-tetrahydronaphthalen-1-yl]phenyl]prop-2-enamide
SMILESCCN(CC)C(=O)/C=C/c1ccc(C2c3ccc(OC)cc3CCC2c2ccc(OC)cc2)cc1
InChIInChI=1S/C31H35NO3/c1-5-32(6-2)30(33)20-9-22-7-10-24(11-8-22)31-28(23-12-15-26(34-3)16-13-23)18-14-25-21-27(35-4)17-19-29(25)31/h7-13,15-17,19-21,28,31H,5-6,14,18H2,1-4H3/b20-9+
InChIKeyZQRKVCZHBUUYLV-AWQFTUOYSA-N
XLogP6.45
TPSA38.77 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500469.63
LogP ≤ 56.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (E)-N,N-diethyl-3-[4-[6-methoxy-2-(4-methoxyphenyl)-1,2,3,4-tetrahydronaphthalen-1-yl]phenyl]prop-2-enamide?
The IUPAC name of (E)-N,N-diethyl-3-[4-[6-methoxy-2-(4-methoxyphenyl)-1,2,3,4-tetrahydronaphthalen-1-yl]phenyl]prop-2-enamide (CID 70149469) is (E)-N,N-diethyl-3-[4-[6-methoxy-2-(4-methoxyphenyl)-1,2,3,4-tetrahydronaphthalen-1-yl]phenyl]prop-2-enamide.
What is the SMILES notation for (E)-N,N-diethyl-3-[4-[6-methoxy-2-(4-methoxyphenyl)-1,2,3,4-tetrahydronaphthalen-1-yl]phenyl]prop-2-enamide?
The canonical SMILES for (E)-N,N-diethyl-3-[4-[6-methoxy-2-(4-methoxyphenyl)-1,2,3,4-tetrahydronaphthalen-1-yl]phenyl]prop-2-enamide is CCN(CC)C(=O)/C=C/c1ccc(C2c3ccc(OC)cc3CCC2c2ccc(OC)cc2)cc1.
What is the InChIKey of (E)-N,N-diethyl-3-[4-[6-methoxy-2-(4-methoxyphenyl)-1,2,3,4-tetrahydronaphthalen-1-yl]phenyl]prop-2-enamide?
The InChIKey is ZQRKVCZHBUUYLV-AWQFTUOYSA-N. The full InChI is InChI=1S/C31H35NO3/c1-5-32(6-2)30(33)20-9-22-7-10-24(11-8-22)31-28(23-12-15-26(34-3)16-13-23)18-14-25-21-27(35-4)17-19-29(25)31/h7-13,15-17,19-21,28,31H,5-6,14,18H2,1-4H3/b20-9+.
What are the key properties of (E)-N,N-diethyl-3-[4-[6-methoxy-2-(4-methoxyphenyl)-1,2,3,4-tetrahydronaphthalen-1-yl]phenyl]prop-2-enamide?
(E)-N,N-diethyl-3-[4-[6-methoxy-2-(4-methoxyphenyl)-1,2,3,4-tetrahydronaphthalen-1-yl]phenyl]prop-2-enamide has a molecular weight of 469.63 g/mol, XLogP of 6.45, 8 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-N,N-diethyl-3-[4-[6-methoxy-2-(4-methoxyphenyl)-1,2,3,4-tetrahydronaphthalen-1-yl]phenyl]prop-2-enamide is sourced from PubChem (CID 70149469), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).