N'-[(3-cyclopentyloxy-4-methoxyphenyl)methyl]-N'-[(3,4-dimethoxyphenyl)methyl]-N,N-diethylpropane-1,3-diamine

C29H44N2O4 — CID 110194299

IUPACN'-[(3-cyclopentyloxy-4-methoxyphenyl)methyl]-N'-[(3,4-dimethoxyphenyl)methyl]-N,N-diethylpropane-1,3-diamine
SMILESCCN(CC)CCCN(Cc1ccc(OC)c(OC)c1)Cc1ccc(OC)c(OC2CCCC2)c1
InChIInChI=1S/C29H44N2O4/c1-6-30(7-2)17-10-18-31(21-23-13-15-26(32-3)28(19-23)34-5)22-24-14-16-27(33-4)29(20-24)35-25-11-8-9-12-25/h13-16,19-20,25H,6-12,17-18,21-22H2,1-5H3
InChIKeyJRJROMHDKDSEPK-UHFFFAOYSA-N
MW484.68 g/mol
LogP5.77
Rot. Bonds15

About N'-[(3-cyclopentyloxy-4-methoxyphenyl)methyl]-N'-[(3,4-dimethoxyphenyl)methyl]-N,N-diethylpropane-1,3-diamine

N'-[(3-cyclopentyloxy-4-methoxyphenyl)methyl]-N'-[(3,4-dimethoxyphenyl)methyl]-N,N-diethylpropane-1,3-diamine (PubChem CID 110194299) has the molecular formula C29H44N2O4 and a molecular weight of 484.68 g/mol. Its IUPAC name is N'-[(3-cyclopentyloxy-4-methoxyphenyl)methyl]-N'-[(3,4-dimethoxyphenyl)methyl]-N,N-diethylpropane-1,3-diamine.

Molecular Properties

Compound NameN'-[(3-cyclopentyloxy-4-methoxyphenyl)methyl]-N'-[(3,4-dimethoxyphenyl)methyl]-N,N-diethylpropane-1,3-diamine
PubChem CID110194299
Molecular FormulaC29H44N2O4
Molecular Weight484.68 g/mol
Exact Mass484.33
IUPAC NameN'-[(3-cyclopentyloxy-4-methoxyphenyl)methyl]-N'-[(3,4-dimethoxyphenyl)methyl]-N,N-diethylpropane-1,3-diamine
SMILESCCN(CC)CCCN(Cc1ccc(OC)c(OC)c1)Cc1ccc(OC)c(OC2CCCC2)c1
InChIInChI=1S/C29H44N2O4/c1-6-30(7-2)17-10-18-31(21-23-13-15-26(32-3)28(19-23)34-5)22-24-14-16-27(33-4)29(20-24)35-25-11-8-9-12-25/h13-16,19-20,25H,6-12,17-18,21-22H2,1-5H3
InChIKeyJRJROMHDKDSEPK-UHFFFAOYSA-N
XLogP5.77
TPSA43.40 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds15
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500484.68
LogP ≤ 55.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

3-(3-cyclopentyloxy-4-methoxyphenyl)-N,N-dimethylpropan-1-amine
CID 170865862
4-[[3-(diethylamino)propyl-ethylamino]methyl]-2-methoxyphenol
CID 102999096
(3-cyclopentyloxy-4-methoxyphenyl)methylhydrazine
CID 143235659
2-(3-cyclobutyloxy-4-methoxyphenyl)ethanol
CID 117318425
2-(3-cyclopentyloxy-4-methoxyphenyl)acetonitrile;hydrochloride
CID 172691211
1-(3-cyclobutyloxy-4-methoxyphenyl)-N-methoxymethanamine
CID 117346957
2-cyclopentyloxy-1-methoxy-4-methylbenzene;ethane
CID 142884364
N'-[(3-cyclopentyloxy-4-methoxyphenyl)methyl]-N,N-dimethyl-N'-quinazolin-4-ylpropane-1,3-diamine
CID 110194319
N-[(4-cyclopentyloxy-3-methoxyphenyl)methyl]hydroxylamine
CID 115004271
N'-[(3,4-dimethoxyphenyl)methyl]-N,N'-diethylethane-1,2-diamine
CID 54986542
1-cyclopentyloxy-4-(isocyanatomethyl)-2-methoxybenzene
CID 117370516
N-[(3,4-dimethoxyphenyl)methyl]-N-(2-phenylethyl)butan-1-amine
CID 141000405

Frequently Asked Questions

What is the IUPAC name of N'-[(3-cyclopentyloxy-4-methoxyphenyl)methyl]-N'-[(3,4-dimethoxyphenyl)methyl]-N,N-diethylpropane-1,3-diamine?
The IUPAC name of N'-[(3-cyclopentyloxy-4-methoxyphenyl)methyl]-N'-[(3,4-dimethoxyphenyl)methyl]-N,N-diethylpropane-1,3-diamine (CID 110194299) is N'-[(3-cyclopentyloxy-4-methoxyphenyl)methyl]-N'-[(3,4-dimethoxyphenyl)methyl]-N,N-diethylpropane-1,3-diamine.
What is the SMILES notation for N'-[(3-cyclopentyloxy-4-methoxyphenyl)methyl]-N'-[(3,4-dimethoxyphenyl)methyl]-N,N-diethylpropane-1,3-diamine?
The canonical SMILES for N'-[(3-cyclopentyloxy-4-methoxyphenyl)methyl]-N'-[(3,4-dimethoxyphenyl)methyl]-N,N-diethylpropane-1,3-diamine is CCN(CC)CCCN(Cc1ccc(OC)c(OC)c1)Cc1ccc(OC)c(OC2CCCC2)c1.
What is the InChIKey of N'-[(3-cyclopentyloxy-4-methoxyphenyl)methyl]-N'-[(3,4-dimethoxyphenyl)methyl]-N,N-diethylpropane-1,3-diamine?
The InChIKey is JRJROMHDKDSEPK-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H44N2O4/c1-6-30(7-2)17-10-18-31(21-23-13-15-26(32-3)28(19-23)34-5)22-24-14-16-27(33-4)29(20-24)35-25-11-8-9-12-25/h13-16,19-20,25H,6-12,17-18,21-22H2,1-5H3.
What are the key properties of N'-[(3-cyclopentyloxy-4-methoxyphenyl)methyl]-N'-[(3,4-dimethoxyphenyl)methyl]-N,N-diethylpropane-1,3-diamine?
N'-[(3-cyclopentyloxy-4-methoxyphenyl)methyl]-N'-[(3,4-dimethoxyphenyl)methyl]-N,N-diethylpropane-1,3-diamine has a molecular weight of 484.68 g/mol, XLogP of 5.77, 15 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[(3-cyclopentyloxy-4-methoxyphenyl)methyl]-N'-[(3,4-dimethoxyphenyl)methyl]-N,N-diethylpropane-1,3-diamine is sourced from PubChem (CID 110194299), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).