6-[ethyl-[(2-methoxyphenyl)methyl]amino]-1-(4-pyrrolidin-1-ylphenyl)hexan-1-one

C26H36N2O2 — CID 10250908

IUPAC6-[ethyl-[(2-methoxyphenyl)methyl]amino]-1-(4-pyrrolidin-1-ylphenyl)hexan-1-one
SMILESCCN(CCCCCC(=O)c1ccc(N2CCCC2)cc1)Cc1ccccc1OC
InChIInChI=1S/C26H36N2O2/c1-3-27(21-23-11-6-7-13-26(23)30-2)18-8-4-5-12-25(29)22-14-16-24(17-15-22)28-19-9-10-20-28/h6-7,11,13-17H,3-5,8-10,12,18-21H2,1-2H3
InChIKeyGGFUMRNRAPYKQU-UHFFFAOYSA-N
MW408.59 g/mol
LogP5.56
Rot. Bonds12

About 6-[ethyl-[(2-methoxyphenyl)methyl]amino]-1-(4-pyrrolidin-1-ylphenyl)hexan-1-one

6-[ethyl-[(2-methoxyphenyl)methyl]amino]-1-(4-pyrrolidin-1-ylphenyl)hexan-1-one (PubChem CID 10250908) has the molecular formula C26H36N2O2 and a molecular weight of 408.59 g/mol. Its IUPAC name is 6-[ethyl-[(2-methoxyphenyl)methyl]amino]-1-(4-pyrrolidin-1-ylphenyl)hexan-1-one.

Molecular Properties

Compound Name6-[ethyl-[(2-methoxyphenyl)methyl]amino]-1-(4-pyrrolidin-1-ylphenyl)hexan-1-one
PubChem CID10250908
Molecular FormulaC26H36N2O2
Molecular Weight408.59 g/mol
Exact Mass408.28
IUPAC Name6-[ethyl-[(2-methoxyphenyl)methyl]amino]-1-(4-pyrrolidin-1-ylphenyl)hexan-1-one
SMILESCCN(CCCCCC(=O)c1ccc(N2CCCC2)cc1)Cc1ccccc1OC
InChIInChI=1S/C26H36N2O2/c1-3-27(21-23-11-6-7-13-26(23)30-2)18-8-4-5-12-25(29)22-14-16-24(17-15-22)28-19-9-10-20-28/h6-7,11,13-17H,3-5,8-10,12,18-21H2,1-2H3
InChIKeyGGFUMRNRAPYKQU-UHFFFAOYSA-N
XLogP5.56
TPSA32.78 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds12
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500408.59
LogP ≤ 55.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

3(2H)-Benzofuranone, 2-((4-(dimethylamino)phenyl)methylene)-
CID 5900716
4-(Isoindolin-2-yl)-2-methoxybenzaldehyde
CID 806545
2-Methoxy-4-(pyrrolidin-1-yl)benzaldehyde
CID 977702
1-{[2-(difluoromethoxy)phenyl]methyl}-2,2-dimethyl-1,2-dihydro-3H-indol-3-one
CID 155294461
N-benzyl-2-methoxy-N-(4-methylphenyl)benzamide
CID 965190
(E)-3-(4-(Dimethylamino)benzylidene)chroman-4-one
CID 6524131
2-methoxy-N-[4-(piperidine-1-carbonyl)phenyl]benzamide
CID 2970799
(2Z)-2-[(4-dimethylaminophenyl)methylene]benzofuran-3-one
CID 5467627
Mdl 27048
CID 6439188
(E)-1-(2,5-dimethoxyphenyl)-3-[4-(dimethylamino)phenyl]prop-2-en-1-one
CID 7947839
N-[4-(3-Methoxy-benzoyl)-phenyl]-butyramide
CID 9817692
6-[4-(2-Methoxy-phenyl)-piperazin-1-yl]-1-phenyl-hexan-1-one
CID 11143090

Frequently Asked Questions

What is the IUPAC name of 6-[ethyl-[(2-methoxyphenyl)methyl]amino]-1-(4-pyrrolidin-1-ylphenyl)hexan-1-one?
The IUPAC name of 6-[ethyl-[(2-methoxyphenyl)methyl]amino]-1-(4-pyrrolidin-1-ylphenyl)hexan-1-one (CID 10250908) is 6-[ethyl-[(2-methoxyphenyl)methyl]amino]-1-(4-pyrrolidin-1-ylphenyl)hexan-1-one.
What is the SMILES notation for 6-[ethyl-[(2-methoxyphenyl)methyl]amino]-1-(4-pyrrolidin-1-ylphenyl)hexan-1-one?
The canonical SMILES for 6-[ethyl-[(2-methoxyphenyl)methyl]amino]-1-(4-pyrrolidin-1-ylphenyl)hexan-1-one is CCN(CCCCCC(=O)c1ccc(N2CCCC2)cc1)Cc1ccccc1OC.
What is the InChIKey of 6-[ethyl-[(2-methoxyphenyl)methyl]amino]-1-(4-pyrrolidin-1-ylphenyl)hexan-1-one?
The InChIKey is GGFUMRNRAPYKQU-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H36N2O2/c1-3-27(21-23-11-6-7-13-26(23)30-2)18-8-4-5-12-25(29)22-14-16-24(17-15-22)28-19-9-10-20-28/h6-7,11,13-17H,3-5,8-10,12,18-21H2,1-2H3.
What are the key properties of 6-[ethyl-[(2-methoxyphenyl)methyl]amino]-1-(4-pyrrolidin-1-ylphenyl)hexan-1-one?
6-[ethyl-[(2-methoxyphenyl)methyl]amino]-1-(4-pyrrolidin-1-ylphenyl)hexan-1-one has a molecular weight of 408.59 g/mol, XLogP of 5.56, 12 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[ethyl-[(2-methoxyphenyl)methyl]amino]-1-(4-pyrrolidin-1-ylphenyl)hexan-1-one is sourced from PubChem (CID 10250908), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).