N-benzyl-2-[4-[(1S)-1-(diethylamino)-2-methoxyethyl]phenoxy]-4-oxoazetidine-1-carboxamide

C24H31N3O4 — CID 67594078

IUPACN-benzyl-2-[4-[(1S)-1-(diethylamino)-2-methoxyethyl]phenoxy]-4-oxoazetidine-1-carboxamide
SMILESCCN(CC)[C@H](COC)c1ccc(OC2CC(=O)N2C(=O)NCc2ccccc2)cc1
InChIInChI=1S/C24H31N3O4/c1-4-26(5-2)21(17-30-3)19-11-13-20(14-12-19)31-23-15-22(28)27(23)24(29)25-16-18-9-7-6-8-10-18/h6-14,21,23H,4-5,15-17H2,1-3H3,(H,25,29)/t21-,23?/m1/s1
InChIKeyFFYFEMGVRLJYQI-FKHAVUOCSA-N
MW425.53 g/mol
LogP3.56
Rot. Bonds10

About N-benzyl-2-[4-[(1S)-1-(diethylamino)-2-methoxyethyl]phenoxy]-4-oxoazetidine-1-carboxamide

N-benzyl-2-[4-[(1S)-1-(diethylamino)-2-methoxyethyl]phenoxy]-4-oxoazetidine-1-carboxamide (PubChem CID 67594078) has the molecular formula C24H31N3O4 and a molecular weight of 425.53 g/mol. Its IUPAC name is N-benzyl-2-[4-[(1S)-1-(diethylamino)-2-methoxyethyl]phenoxy]-4-oxoazetidine-1-carboxamide.

Molecular Properties

Compound NameN-benzyl-2-[4-[(1S)-1-(diethylamino)-2-methoxyethyl]phenoxy]-4-oxoazetidine-1-carboxamide
PubChem CID67594078
Molecular FormulaC24H31N3O4
Molecular Weight425.53 g/mol
Exact Mass425.23
IUPAC NameN-benzyl-2-[4-[(1S)-1-(diethylamino)-2-methoxyethyl]phenoxy]-4-oxoazetidine-1-carboxamide
SMILESCCN(CC)[C@H](COC)c1ccc(OC2CC(=O)N2C(=O)NCc2ccccc2)cc1
InChIInChI=1S/C24H31N3O4/c1-4-26(5-2)21(17-30-3)19-11-13-20(14-12-19)31-23-15-22(28)27(23)24(29)25-16-18-9-7-6-8-10-18/h6-14,21,23H,4-5,15-17H2,1-3H3,(H,25,29)/t21-,23?/m1/s1
InChIKeyFFYFEMGVRLJYQI-FKHAVUOCSA-N
XLogP3.56
TPSA71.11 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500425.53
LogP ≤ 53.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

(2S)-N-benzyl-2-[4-[1-(diethylamino)-2-methoxyethyl]phenoxy]-4-oxoazetidine-1-carboxamide
CID 67594077
4-[(2R,3S)-1-(benzylcarbamoyl)-3-ethyl-3-methyl-4-oxoazetidin-2-yl]oxybenzoic acid
CID 10429981
tert-butyl 4-[1-(benzylcarbamoyl)-3,3-dimethyl-4-oxoazetidin-2-yl]oxybenzoate
CID 10093833
2-[[N-[2-(diethylamino)-2-phenylethyl]-N'-methylcarbamimidoyl]amino]-N-[(4-methoxyphenyl)methyl]acetamide
CID 111010671
(3R)-N-benzyl-1-[(2S)-1-methoxypropan-2-yl]-5-oxopyrrolidine-3-carboxamide
CID 9365043
N-benzyl-2-oxo-4-[2-(trifluoromethyl)phenyl]sulfanylazetidine-1-carboxamide
CID 118526721
2-[[2-(diethylamino)-2-phenylethyl]amino]-3-methoxypropanoic acid
CID 103235339
(2R)-2-(benzenesulfonylmethyl)-N-benzyl-4-oxoazetidine-1-carboxamide
CID 15523795
3-benzyl-1-[2-hydroxy-1-(4-methoxyphenyl)ethyl]-1-methylurea
CID 111122932
(2R)-N-benzyl-3-methoxy-2-methylpropanamide
CID 12051861
N-[(4-ethoxyphenyl)methyl]-2-methyl-2,3-dihydroindole-1-carboxamide
CID 108884531
N-benzyl-2-(3-chlorophenyl)sulfanyl-4-oxoazetidine-1-carboxamide
CID 54466914

Frequently Asked Questions

What is the IUPAC name of N-benzyl-2-[4-[(1S)-1-(diethylamino)-2-methoxyethyl]phenoxy]-4-oxoazetidine-1-carboxamide?
The IUPAC name of N-benzyl-2-[4-[(1S)-1-(diethylamino)-2-methoxyethyl]phenoxy]-4-oxoazetidine-1-carboxamide (CID 67594078) is N-benzyl-2-[4-[(1S)-1-(diethylamino)-2-methoxyethyl]phenoxy]-4-oxoazetidine-1-carboxamide.
What is the SMILES notation for N-benzyl-2-[4-[(1S)-1-(diethylamino)-2-methoxyethyl]phenoxy]-4-oxoazetidine-1-carboxamide?
The canonical SMILES for N-benzyl-2-[4-[(1S)-1-(diethylamino)-2-methoxyethyl]phenoxy]-4-oxoazetidine-1-carboxamide is CCN(CC)[C@H](COC)c1ccc(OC2CC(=O)N2C(=O)NCc2ccccc2)cc1.
What is the InChIKey of N-benzyl-2-[4-[(1S)-1-(diethylamino)-2-methoxyethyl]phenoxy]-4-oxoazetidine-1-carboxamide?
The InChIKey is FFYFEMGVRLJYQI-FKHAVUOCSA-N. The full InChI is InChI=1S/C24H31N3O4/c1-4-26(5-2)21(17-30-3)19-11-13-20(14-12-19)31-23-15-22(28)27(23)24(29)25-16-18-9-7-6-8-10-18/h6-14,21,23H,4-5,15-17H2,1-3H3,(H,25,29)/t21-,23?/m1/s1.
What are the key properties of N-benzyl-2-[4-[(1S)-1-(diethylamino)-2-methoxyethyl]phenoxy]-4-oxoazetidine-1-carboxamide?
N-benzyl-2-[4-[(1S)-1-(diethylamino)-2-methoxyethyl]phenoxy]-4-oxoazetidine-1-carboxamide has a molecular weight of 425.53 g/mol, XLogP of 3.56, 10 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-2-[4-[(1S)-1-(diethylamino)-2-methoxyethyl]phenoxy]-4-oxoazetidine-1-carboxamide is sourced from PubChem (CID 67594078), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).