3-(2-amino-2-oxoethoxy)-N-[[1-(4-methoxyphenyl)cyclohexyl]methyl]benzamide

C23H28N2O4 — CID 47921805

IUPAC3-(2-amino-2-oxoethoxy)-N-[[1-(4-methoxyphenyl)cyclohexyl]methyl]benzamide
SMILESCOc1ccc(C2(CNC(=O)c3cccc(OCC(N)=O)c3)CCCCC2)cc1
InChIInChI=1S/C23H28N2O4/c1-28-19-10-8-18(9-11-19)23(12-3-2-4-13-23)16-25-22(27)17-6-5-7-20(14-17)29-15-21(24)26/h5-11,14H,2-4,12-13,15-16H2,1H3,(H2,24,26)(H,25,27)
InChIKeyNNUMARAWGGHFKB-UHFFFAOYSA-N
MW396.49 g/mol
LogP3.19
Rot. Bonds8

About 3-(2-amino-2-oxoethoxy)-N-[[1-(4-methoxyphenyl)cyclohexyl]methyl]benzamide

3-(2-amino-2-oxoethoxy)-N-[[1-(4-methoxyphenyl)cyclohexyl]methyl]benzamide (PubChem CID 47921805) has the molecular formula C23H28N2O4 and a molecular weight of 396.49 g/mol. Its IUPAC name is 3-(2-amino-2-oxoethoxy)-N-[[1-(4-methoxyphenyl)cyclohexyl]methyl]benzamide.

Molecular Properties

Compound Name3-(2-amino-2-oxoethoxy)-N-[[1-(4-methoxyphenyl)cyclohexyl]methyl]benzamide
PubChem CID47921805
Molecular FormulaC23H28N2O4
Molecular Weight396.49 g/mol
Exact Mass396.20
IUPAC Name3-(2-amino-2-oxoethoxy)-N-[[1-(4-methoxyphenyl)cyclohexyl]methyl]benzamide
SMILESCOc1ccc(C2(CNC(=O)c3cccc(OCC(N)=O)c3)CCCCC2)cc1
InChIInChI=1S/C23H28N2O4/c1-28-19-10-8-18(9-11-19)23(12-3-2-4-13-23)16-25-22(27)17-6-5-7-20(14-17)29-15-21(24)26/h5-11,14H,2-4,12-13,15-16H2,1H3,(H2,24,26)(H,25,27)
InChIKeyNNUMARAWGGHFKB-UHFFFAOYSA-N
XLogP3.19
TPSA90.65 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.49
LogP ≤ 53.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-chloro-N-[[1-(4-methoxyphenyl)cyclopropyl]methyl]benzamide
CID 42265617
3-fluoro-N-[[1-(4-methoxyphenyl)cyclopropyl]methyl]benzamide
CID 42265593
3-ethoxy-N-[(1-hydroxycyclohexyl)methyl]benzamide
CID 111446107
N-[[1-(chloromethyl)cyclohexyl]methyl]-3-methoxybenzamide
CID 103969532
2-[3-[(1-carbamoylcyclopentyl)methylcarbamoyl]phenoxy]acetic acid
CID 119185603
N-[[1-(dimethylamino)cyclohexyl]methyl]-3-methoxybenzamide;hydrochloride
CID 20994999
4-(2-amino-2-oxoethoxy)-3-chloro-5-methoxy-N-[(1-phenylcyclobutyl)methyl]benzamide
CID 24614600
N-[[1-(4-methoxyphenyl)cyclopentyl]methyl]tetrazolo[1,5-a]pyridine-6-carboxamide
CID 74240891
N-[[1-(4-methoxyphenyl)cyclopentyl]methyl]-[1,2,4]triazolo[1,5-a]pyridine-5-carboxamide
CID 157016880
N-[[1-(4-methoxyphenyl)cyclopentyl]methyl]-6-(1,2,4-triazol-4-yl)pyridine-3-carboxamide
CID 74244555
3-methoxy-N-[[1-(4-methoxyphenyl)cyclopentyl]methyl]-4-(4-methylimidazol-1-yl)benzamide
CID 66791325
2-[3-[[[ethylamino-[(1-phenylcyclopentyl)methylamino]methylidene]amino]methyl]phenoxy]acetamide;hydroiodide
CID 111999104

Frequently Asked Questions

What is the IUPAC name of 3-(2-amino-2-oxoethoxy)-N-[[1-(4-methoxyphenyl)cyclohexyl]methyl]benzamide?
The IUPAC name of 3-(2-amino-2-oxoethoxy)-N-[[1-(4-methoxyphenyl)cyclohexyl]methyl]benzamide (CID 47921805) is 3-(2-amino-2-oxoethoxy)-N-[[1-(4-methoxyphenyl)cyclohexyl]methyl]benzamide.
What is the SMILES notation for 3-(2-amino-2-oxoethoxy)-N-[[1-(4-methoxyphenyl)cyclohexyl]methyl]benzamide?
The canonical SMILES for 3-(2-amino-2-oxoethoxy)-N-[[1-(4-methoxyphenyl)cyclohexyl]methyl]benzamide is COc1ccc(C2(CNC(=O)c3cccc(OCC(N)=O)c3)CCCCC2)cc1.
What is the InChIKey of 3-(2-amino-2-oxoethoxy)-N-[[1-(4-methoxyphenyl)cyclohexyl]methyl]benzamide?
The InChIKey is NNUMARAWGGHFKB-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H28N2O4/c1-28-19-10-8-18(9-11-19)23(12-3-2-4-13-23)16-25-22(27)17-6-5-7-20(14-17)29-15-21(24)26/h5-11,14H,2-4,12-13,15-16H2,1H3,(H2,24,26)(H,25,27).
What are the key properties of 3-(2-amino-2-oxoethoxy)-N-[[1-(4-methoxyphenyl)cyclohexyl]methyl]benzamide?
3-(2-amino-2-oxoethoxy)-N-[[1-(4-methoxyphenyl)cyclohexyl]methyl]benzamide has a molecular weight of 396.49 g/mol, XLogP of 3.19, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-amino-2-oxoethoxy)-N-[[1-(4-methoxyphenyl)cyclohexyl]methyl]benzamide is sourced from PubChem (CID 47921805), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).