(4S)-1-[[4-[3-(diethylamino)propoxy]-3-methoxyphenyl]methyl]-4-phenylimidazolidin-2-one

C24H33N3O3 — CID 142669159

IUPAC(4S)-1-[[4-[3-(diethylamino)propoxy]-3-methoxyphenyl]methyl]-4-phenylimidazolidin-2-one
SMILESCCN(CC)CCCOc1ccc(CN2C[C@H](c3ccccc3)NC2=O)cc1OC
InChIInChI=1S/C24H33N3O3/c1-4-26(5-2)14-9-15-30-22-13-12-19(16-23(22)29-3)17-27-18-21(25-24(27)28)20-10-7-6-8-11-20/h6-8,10-13,16,21H,4-5,9,14-15,17-18H2,1-3H3,(H,25,28)/t21-/m1/s1
InChIKeyYZUUIWNQPVXQKW-OAQYLSRUSA-N
MW411.55 g/mol
LogP4.07
Rot. Bonds11

About (4S)-1-[[4-[3-(diethylamino)propoxy]-3-methoxyphenyl]methyl]-4-phenylimidazolidin-2-one

(4S)-1-[[4-[3-(diethylamino)propoxy]-3-methoxyphenyl]methyl]-4-phenylimidazolidin-2-one (PubChem CID 142669159) has the molecular formula C24H33N3O3 and a molecular weight of 411.55 g/mol. Its IUPAC name is (4S)-1-[[4-[3-(diethylamino)propoxy]-3-methoxyphenyl]methyl]-4-phenylimidazolidin-2-one.

Molecular Properties

Compound Name(4S)-1-[[4-[3-(diethylamino)propoxy]-3-methoxyphenyl]methyl]-4-phenylimidazolidin-2-one
PubChem CID142669159
Molecular FormulaC24H33N3O3
Molecular Weight411.55 g/mol
Exact Mass411.25
IUPAC Name(4S)-1-[[4-[3-(diethylamino)propoxy]-3-methoxyphenyl]methyl]-4-phenylimidazolidin-2-one
SMILESCCN(CC)CCCOc1ccc(CN2C[C@H](c3ccccc3)NC2=O)cc1OC
InChIInChI=1S/C24H33N3O3/c1-4-26(5-2)14-9-15-30-22-13-12-19(16-23(22)29-3)17-27-18-21(25-24(27)28)20-10-7-6-8-11-20/h6-8,10-13,16,21H,4-5,9,14-15,17-18H2,1-3H3,(H,25,28)/t21-/m1/s1
InChIKeyYZUUIWNQPVXQKW-OAQYLSRUSA-N
XLogP4.07
TPSA54.04 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds11
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500411.55
LogP ≤ 54.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

1-[[4-[2-(diethylamino)ethoxy]-3-methoxyphenyl]methyl]-5-oxopyrrolidine-3-carboxylic acid
CID 20989360
(4S)-1-[[3-methyl-4-(4-piperidin-1-ylbutoxy)phenyl]methyl]-4-phenylimidazolidin-2-one
CID 142669096
(4S)-1-[[3-bromo-4-(3-pyrrolidin-1-ylpropoxy)phenyl]methyl]-4-phenylimidazolidin-2-one
CID 142669091
(4S)-1-[(4-aminophenyl)methyl]-4-phenylimidazolidin-2-one
CID 142669131
1-[[3-methoxy-4-(2-phenoxyethoxy)phenyl]methyl]-5-oxopyrrolidine-3-carboxylic acid
CID 22685140
3-[4-[2-(diethylamino)ethoxy]-3-methoxyphenyl]-2-phenylpropanoic acid
CID 22682030
(3S)-1-[(4-ethoxy-3-methoxyphenyl)methyl]-5-oxopyrrolidine-3-carboxylic acid
CID 9146761
(4R)-1-[[2-(2-methoxy-5-propan-2-ylphenyl)-5-methylphenyl]methyl]-4-phenylimidazolidin-2-one
CID 71101031
4-[[4-[2-(diethylamino)ethoxy]-3-methoxyphenyl]methylamino]-4-oxobutanoic acid
CID 20992977
(4S)-1-[(4-aminophenyl)methyl]-4-(3-cyclopentyloxy-4-methoxyphenyl)imidazolidin-2-one
CID 54376016
1-[(3-methoxy-4-propoxyphenyl)methyl]piperidine-2-carboxylic acid
CID 122040395
1-[(4-heptoxy-3-methoxyphenyl)methyl]piperidine-4-carboxylic acid
CID 54848223

Frequently Asked Questions

What is the IUPAC name of (4S)-1-[[4-[3-(diethylamino)propoxy]-3-methoxyphenyl]methyl]-4-phenylimidazolidin-2-one?
The IUPAC name of (4S)-1-[[4-[3-(diethylamino)propoxy]-3-methoxyphenyl]methyl]-4-phenylimidazolidin-2-one (CID 142669159) is (4S)-1-[[4-[3-(diethylamino)propoxy]-3-methoxyphenyl]methyl]-4-phenylimidazolidin-2-one.
What is the SMILES notation for (4S)-1-[[4-[3-(diethylamino)propoxy]-3-methoxyphenyl]methyl]-4-phenylimidazolidin-2-one?
The canonical SMILES for (4S)-1-[[4-[3-(diethylamino)propoxy]-3-methoxyphenyl]methyl]-4-phenylimidazolidin-2-one is CCN(CC)CCCOc1ccc(CN2C[C@H](c3ccccc3)NC2=O)cc1OC.
What is the InChIKey of (4S)-1-[[4-[3-(diethylamino)propoxy]-3-methoxyphenyl]methyl]-4-phenylimidazolidin-2-one?
The InChIKey is YZUUIWNQPVXQKW-OAQYLSRUSA-N. The full InChI is InChI=1S/C24H33N3O3/c1-4-26(5-2)14-9-15-30-22-13-12-19(16-23(22)29-3)17-27-18-21(25-24(27)28)20-10-7-6-8-11-20/h6-8,10-13,16,21H,4-5,9,14-15,17-18H2,1-3H3,(H,25,28)/t21-/m1/s1.
What are the key properties of (4S)-1-[[4-[3-(diethylamino)propoxy]-3-methoxyphenyl]methyl]-4-phenylimidazolidin-2-one?
(4S)-1-[[4-[3-(diethylamino)propoxy]-3-methoxyphenyl]methyl]-4-phenylimidazolidin-2-one has a molecular weight of 411.55 g/mol, XLogP of 4.07, 11 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4S)-1-[[4-[3-(diethylamino)propoxy]-3-methoxyphenyl]methyl]-4-phenylimidazolidin-2-one is sourced from PubChem (CID 142669159), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).