N-[(1R)-1-(4-methoxyphenyl)ethyl]-N-[3-(4-methylpiperazin-1-yl)propyl]-3,3-diphenylprop-2-en-1-amine

C32H41N3O — CID 155689984

IUPACN-[(1R)-1-(4-methoxyphenyl)ethyl]-N-[3-(4-methylpiperazin-1-yl)propyl]-3,3-diphenylprop-2-en-1-amine
SMILESCOc1ccc([C@@H](C)N(CC=C(c2ccccc2)c2ccccc2)CCCN2CCN(C)CC2)cc1
InChIInChI=1S/C32H41N3O/c1-27(28-15-17-31(36-3)18-16-28)35(21-10-20-34-25-23-33(2)24-26-34)22-19-32(29-11-6-4-7-12-29)30-13-8-5-9-14-30/h4-9,11-19,27H,10,20-26H2,1-3H3/t27-/m1/s1
InChIKeyJEANQBRCQTZZBO-HHHXNRCGSA-N
MW483.70 g/mol
LogP5.83
Rot. Bonds11

About N-[(1R)-1-(4-methoxyphenyl)ethyl]-N-[3-(4-methylpiperazin-1-yl)propyl]-3,3-diphenylprop-2-en-1-amine

N-[(1R)-1-(4-methoxyphenyl)ethyl]-N-[3-(4-methylpiperazin-1-yl)propyl]-3,3-diphenylprop-2-en-1-amine (PubChem CID 155689984) has the molecular formula C32H41N3O and a molecular weight of 483.70 g/mol. Its IUPAC name is N-[(1R)-1-(4-methoxyphenyl)ethyl]-N-[3-(4-methylpiperazin-1-yl)propyl]-3,3-diphenylprop-2-en-1-amine.

Molecular Properties

Compound NameN-[(1R)-1-(4-methoxyphenyl)ethyl]-N-[3-(4-methylpiperazin-1-yl)propyl]-3,3-diphenylprop-2-en-1-amine
PubChem CID155689984
Molecular FormulaC32H41N3O
Molecular Weight483.70 g/mol
Exact Mass483.32
IUPAC NameN-[(1R)-1-(4-methoxyphenyl)ethyl]-N-[3-(4-methylpiperazin-1-yl)propyl]-3,3-diphenylprop-2-en-1-amine
SMILESCOc1ccc([C@@H](C)N(CC=C(c2ccccc2)c2ccccc2)CCCN2CCN(C)CC2)cc1
InChIInChI=1S/C32H41N3O/c1-27(28-15-17-31(36-3)18-16-28)35(21-10-20-34-25-23-33(2)24-26-34)22-19-32(29-11-6-4-7-12-29)30-13-8-5-9-14-30/h4-9,11-19,27H,10,20-26H2,1-3H3/t27-/m1/s1
InChIKeyJEANQBRCQTZZBO-HHHXNRCGSA-N
XLogP5.83
TPSA18.95 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds11
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500483.70
LogP ≤ 55.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[(1R)-1-(4-methoxyphenyl)ethyl]-N-[3-(4-methylpiperazin-1-yl)propyl]-3,3-diphenylprop-2-en-1-amine?
The IUPAC name of N-[(1R)-1-(4-methoxyphenyl)ethyl]-N-[3-(4-methylpiperazin-1-yl)propyl]-3,3-diphenylprop-2-en-1-amine (CID 155689984) is N-[(1R)-1-(4-methoxyphenyl)ethyl]-N-[3-(4-methylpiperazin-1-yl)propyl]-3,3-diphenylprop-2-en-1-amine.
What is the SMILES notation for N-[(1R)-1-(4-methoxyphenyl)ethyl]-N-[3-(4-methylpiperazin-1-yl)propyl]-3,3-diphenylprop-2-en-1-amine?
The canonical SMILES for N-[(1R)-1-(4-methoxyphenyl)ethyl]-N-[3-(4-methylpiperazin-1-yl)propyl]-3,3-diphenylprop-2-en-1-amine is COc1ccc([C@@H](C)N(CC=C(c2ccccc2)c2ccccc2)CCCN2CCN(C)CC2)cc1.
What is the InChIKey of N-[(1R)-1-(4-methoxyphenyl)ethyl]-N-[3-(4-methylpiperazin-1-yl)propyl]-3,3-diphenylprop-2-en-1-amine?
The InChIKey is JEANQBRCQTZZBO-HHHXNRCGSA-N. The full InChI is InChI=1S/C32H41N3O/c1-27(28-15-17-31(36-3)18-16-28)35(21-10-20-34-25-23-33(2)24-26-34)22-19-32(29-11-6-4-7-12-29)30-13-8-5-9-14-30/h4-9,11-19,27H,10,20-26H2,1-3H3/t27-/m1/s1.
What are the key properties of N-[(1R)-1-(4-methoxyphenyl)ethyl]-N-[3-(4-methylpiperazin-1-yl)propyl]-3,3-diphenylprop-2-en-1-amine?
N-[(1R)-1-(4-methoxyphenyl)ethyl]-N-[3-(4-methylpiperazin-1-yl)propyl]-3,3-diphenylprop-2-en-1-amine has a molecular weight of 483.70 g/mol, XLogP of 5.83, 11 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1R)-1-(4-methoxyphenyl)ethyl]-N-[3-(4-methylpiperazin-1-yl)propyl]-3,3-diphenylprop-2-en-1-amine is sourced from PubChem (CID 155689984), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).