1,3-bis[6-[ethyl-[(2-methoxyphenyl)methyl]amino]hexyl]imidazolidin-2-one

C35H56N4O3 — CID 25150452

IUPAC1,3-bis[6-[ethyl-[(2-methoxyphenyl)methyl]amino]hexyl]imidazolidin-2-one
SMILESCCN(CCCCCCN1CCN(CCCCCCN(CC)Cc2ccccc2OC)C1=O)Cc1ccccc1OC
InChIInChI=1S/C35H56N4O3/c1-5-36(29-31-19-11-13-21-33(31)41-3)23-15-7-9-17-25-38-27-28-39(35(38)40)26-18-10-8-16-24-37(6-2)30-32-20-12-14-22-34(32)42-4/h11-14,19-22H,5-10,15-18,23-30H2,1-4H3
InChIKeyAHIBLNIHLALZKU-UHFFFAOYSA-N
MW580.86 g/mol
LogP6.91
Rot. Bonds22

About 1,3-bis[6-[ethyl-[(2-methoxyphenyl)methyl]amino]hexyl]imidazolidin-2-one

1,3-bis[6-[ethyl-[(2-methoxyphenyl)methyl]amino]hexyl]imidazolidin-2-one (PubChem CID 25150452) has the molecular formula C35H56N4O3 and a molecular weight of 580.86 g/mol. Its IUPAC name is 1,3-bis[6-[ethyl-[(2-methoxyphenyl)methyl]amino]hexyl]imidazolidin-2-one.

Molecular Properties

Compound Name1,3-bis[6-[ethyl-[(2-methoxyphenyl)methyl]amino]hexyl]imidazolidin-2-one
PubChem CID25150452
Molecular FormulaC35H56N4O3
Molecular Weight580.86 g/mol
Exact Mass580.44
IUPAC Name1,3-bis[6-[ethyl-[(2-methoxyphenyl)methyl]amino]hexyl]imidazolidin-2-one
SMILESCCN(CCCCCCN1CCN(CCCCCCN(CC)Cc2ccccc2OC)C1=O)Cc1ccccc1OC
InChIInChI=1S/C35H56N4O3/c1-5-36(29-31-19-11-13-21-33(31)41-3)23-15-7-9-17-25-38-27-28-39(35(38)40)26-18-10-8-16-24-37(6-2)30-32-20-12-14-22-34(32)42-4/h11-14,19-22H,5-10,15-18,23-30H2,1-4H3
InChIKeyAHIBLNIHLALZKU-UHFFFAOYSA-N
XLogP6.91
TPSA48.49 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds22
Heavy Atoms42
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500580.86
LogP ≤ 56.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

Caproctamine
CID 10055202
6-(2-Methoxybenzyl)-8-phenyl-1,6-diazabicyclo[3.2.1]octane
CID 18686789
(5S,8S)-6-[(2-methoxyphenyl)methyl]-8-phenyl-1,6-diazabicyclo[3.2.1]octane
CID 10357939
CM 178-78
CID 128222
N,N''''-(octane-1,8-diyl)bis(6-(ethyl(2-methoxybenzyl)amino)-N-methylhexanamide)
CID 10372514
Ethyl-[6-[8-[6-[ethyl-[(2-methoxyphenyl)methyl]-methylazaniumyl]hexoxy]octoxy]hexyl]-[(2-methoxyphenyl)methyl]-methylazanium
CID 10909176
N,N'-bis(6-aminohexyl)-N,N'-bis[(2-methoxyphenyl)methyl]octane-1,8-diamine
CID 10929950
Ethyl-[6-[8-[6-[ethyl-[(2-methoxyphenyl)methyl]-methylazaniumyl]hexanoyl-propan-2-ylamino]octyl-propan-2-ylamino]-6-oxohexyl]-[(2-methoxyphenyl)methyl]-methylazanium
CID 10996738
N'-[6-[(2-methoxyphenyl)methylamino]hexyl]-N-[6-[6-[(2-methoxyphenyl)methylamino]hexylamino]hexyl]hexane-1,6-diamine
CID 11082844
N-ethyl-6-[8-[6-[ethyl-[(2-methoxyphenyl)methyl]amino]hexoxy]octoxy]-N-[(2-methoxyphenyl)methyl]hexan-1-amine
CID 11104192
6-[ethyl-[(2-methoxyphenyl)methyl]amino]-N-[8-[6-[ethyl-[(2-methoxyphenyl)methyl]amino]hexanoyl-propan-2-ylamino]octyl]-N-propan-2-ylhexanamide
CID 11104646
Ethyl-[6-[8-[6-[ethyl-[(2-methoxyphenyl)methyl]-methylazaniumyl]hexanoyl-methylamino]octyl-methylamino]-6-oxohexyl]-[(2-methoxyphenyl)methyl]-methylazanium
CID 11125922

Frequently Asked Questions

What is the IUPAC name of 1,3-bis[6-[ethyl-[(2-methoxyphenyl)methyl]amino]hexyl]imidazolidin-2-one?
The IUPAC name of 1,3-bis[6-[ethyl-[(2-methoxyphenyl)methyl]amino]hexyl]imidazolidin-2-one (CID 25150452) is 1,3-bis[6-[ethyl-[(2-methoxyphenyl)methyl]amino]hexyl]imidazolidin-2-one.
What is the SMILES notation for 1,3-bis[6-[ethyl-[(2-methoxyphenyl)methyl]amino]hexyl]imidazolidin-2-one?
The canonical SMILES for 1,3-bis[6-[ethyl-[(2-methoxyphenyl)methyl]amino]hexyl]imidazolidin-2-one is CCN(CCCCCCN1CCN(CCCCCCN(CC)Cc2ccccc2OC)C1=O)Cc1ccccc1OC.
What is the InChIKey of 1,3-bis[6-[ethyl-[(2-methoxyphenyl)methyl]amino]hexyl]imidazolidin-2-one?
The InChIKey is AHIBLNIHLALZKU-UHFFFAOYSA-N. The full InChI is InChI=1S/C35H56N4O3/c1-5-36(29-31-19-11-13-21-33(31)41-3)23-15-7-9-17-25-38-27-28-39(35(38)40)26-18-10-8-16-24-37(6-2)30-32-20-12-14-22-34(32)42-4/h11-14,19-22H,5-10,15-18,23-30H2,1-4H3.
What are the key properties of 1,3-bis[6-[ethyl-[(2-methoxyphenyl)methyl]amino]hexyl]imidazolidin-2-one?
1,3-bis[6-[ethyl-[(2-methoxyphenyl)methyl]amino]hexyl]imidazolidin-2-one has a molecular weight of 580.86 g/mol, XLogP of 6.91, 22 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-bis[6-[ethyl-[(2-methoxyphenyl)methyl]amino]hexyl]imidazolidin-2-one is sourced from PubChem (CID 25150452), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).