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

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

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

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).