N-[[3-[2-(ethylamino)-2-oxoethoxy]phenyl]methyl]-3,3-dimethyl-2-phenylazetidine-1-carboxamide

C23H29N3O3 — CID 138994417

IUPACN-[[3-[2-(ethylamino)-2-oxoethoxy]phenyl]methyl]-3,3-dimethyl-2-phenylazetidine-1-carboxamide
SMILESCCNC(=O)COc1cccc(CNC(=O)N2CC(C)(C)C2c2ccccc2)c1
InChIInChI=1S/C23H29N3O3/c1-4-24-20(27)15-29-19-12-8-9-17(13-19)14-25-22(28)26-16-23(2,3)21(26)18-10-6-5-7-11-18/h5-13,21H,4,14-16H2,1-3H3,(H,24,27)(H,25,28)
InChIKeyXLOFWGZJUNGFQE-UHFFFAOYSA-N
MW395.50 g/mol
LogP3.49
Rot. Bonds7

About N-[[3-[2-(ethylamino)-2-oxoethoxy]phenyl]methyl]-3,3-dimethyl-2-phenylazetidine-1-carboxamide

N-[[3-[2-(ethylamino)-2-oxoethoxy]phenyl]methyl]-3,3-dimethyl-2-phenylazetidine-1-carboxamide (PubChem CID 138994417) has the molecular formula C23H29N3O3 and a molecular weight of 395.50 g/mol. Its IUPAC name is N-[[3-[2-(ethylamino)-2-oxoethoxy]phenyl]methyl]-3,3-dimethyl-2-phenylazetidine-1-carboxamide.

Molecular Properties

Compound NameN-[[3-[2-(ethylamino)-2-oxoethoxy]phenyl]methyl]-3,3-dimethyl-2-phenylazetidine-1-carboxamide
PubChem CID138994417
Molecular FormulaC23H29N3O3
Molecular Weight395.50 g/mol
Exact Mass395.22
IUPAC NameN-[[3-[2-(ethylamino)-2-oxoethoxy]phenyl]methyl]-3,3-dimethyl-2-phenylazetidine-1-carboxamide
SMILESCCNC(=O)COc1cccc(CNC(=O)N2CC(C)(C)C2c2ccccc2)c1
InChIInChI=1S/C23H29N3O3/c1-4-24-20(27)15-29-19-12-8-9-17(13-19)14-25-22(28)26-16-23(2,3)21(26)18-10-6-5-7-11-18/h5-13,21H,4,14-16H2,1-3H3,(H,24,27)(H,25,28)
InChIKeyXLOFWGZJUNGFQE-UHFFFAOYSA-N
XLogP3.49
TPSA70.67 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.50
LogP ≤ 53.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-[[3-[2-(ethylamino)-2-oxoethoxy]phenyl]methylcarbamoyl]cyclopropane-1-carboxylic acid
CID 119187254
1-amino-N-[[3-[2-(ethylamino)-2-oxoethoxy]phenyl]methyl]cyclopropane-1-carboxamide
CID 119740364
2-[3-[(tert-butylamino)methyl]phenoxy]-N-ethylacetamide
CID 63057746
N-ethyl-2-[(3-phenylmethoxyphenyl)methylamino]acetamide
CID 69313120
N-benzyl-2-(3-ethoxyphenoxy)acetamide
CID 112977703
2-[3-[[[N-(2,2-diphenylethyl)-N'-methylcarbamimidoyl]amino]methyl]phenoxy]-N-ethylacetamide
CID 111356936
N-ethyl-2-[3-[[[N-ethyl-N'-[(3-fluorophenyl)methyl]carbamimidoyl]amino]methyl]phenoxy]acetamide
CID 111876927
N-ethyl-2-[(3-phenoxyphenyl)methylamino]acetamide
CID 43398912
(2S)-2-amino-N-[[3-[2-(ethylamino)-2-oxoethoxy]phenyl]methyl]-4-methylpentanamide
CID 119740412
2-[3-(ethylaminomethyl)phenoxy]-N-prop-2-enylacetamide
CID 60882038
2-amino-N-[[3-[2-(ethylamino)-2-oxoethoxy]phenyl]methyl]-2-methylpentanamide;hydrochloride
CID 119740409
N-ethyl-2-[3-[[[N-methyl-C-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]carbonimidoyl]amino]methyl]phenoxy]acetamide
CID 111218567

Frequently Asked Questions

What is the IUPAC name of N-[[3-[2-(ethylamino)-2-oxoethoxy]phenyl]methyl]-3,3-dimethyl-2-phenylazetidine-1-carboxamide?
The IUPAC name of N-[[3-[2-(ethylamino)-2-oxoethoxy]phenyl]methyl]-3,3-dimethyl-2-phenylazetidine-1-carboxamide (CID 138994417) is N-[[3-[2-(ethylamino)-2-oxoethoxy]phenyl]methyl]-3,3-dimethyl-2-phenylazetidine-1-carboxamide.
What is the SMILES notation for N-[[3-[2-(ethylamino)-2-oxoethoxy]phenyl]methyl]-3,3-dimethyl-2-phenylazetidine-1-carboxamide?
The canonical SMILES for N-[[3-[2-(ethylamino)-2-oxoethoxy]phenyl]methyl]-3,3-dimethyl-2-phenylazetidine-1-carboxamide is CCNC(=O)COc1cccc(CNC(=O)N2CC(C)(C)C2c2ccccc2)c1.
What is the InChIKey of N-[[3-[2-(ethylamino)-2-oxoethoxy]phenyl]methyl]-3,3-dimethyl-2-phenylazetidine-1-carboxamide?
The InChIKey is XLOFWGZJUNGFQE-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H29N3O3/c1-4-24-20(27)15-29-19-12-8-9-17(13-19)14-25-22(28)26-16-23(2,3)21(26)18-10-6-5-7-11-18/h5-13,21H,4,14-16H2,1-3H3,(H,24,27)(H,25,28).
What are the key properties of N-[[3-[2-(ethylamino)-2-oxoethoxy]phenyl]methyl]-3,3-dimethyl-2-phenylazetidine-1-carboxamide?
N-[[3-[2-(ethylamino)-2-oxoethoxy]phenyl]methyl]-3,3-dimethyl-2-phenylazetidine-1-carboxamide has a molecular weight of 395.50 g/mol, XLogP of 3.49, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[3-[2-(ethylamino)-2-oxoethoxy]phenyl]methyl]-3,3-dimethyl-2-phenylazetidine-1-carboxamide is sourced from PubChem (CID 138994417), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).