4-(2-amino-2-oxoethoxy)-3-chloro-N-ethyl-5-methoxy-N-[[(3S)-oxolan-3-yl]methyl]benzamide

C17H23ClN2O5 — CID 52511585

IUPAC4-(2-amino-2-oxoethoxy)-3-chloro-N-ethyl-5-methoxy-N-[[(3S)-oxolan-3-yl]methyl]benzamide
SMILESCCN(C[C@@H]1CCOC1)C(=O)c1cc(Cl)c(OCC(N)=O)c(OC)c1
InChIInChI=1S/C17H23ClN2O5/c1-3-20(8-11-4-5-24-9-11)17(22)12-6-13(18)16(14(7-12)23-2)25-10-15(19)21/h6-7,11H,3-5,8-10H2,1-2H3,(H2,19,21)/t11-/m0/s1
InChIKeyJWIOKEVVWJHTAA-NSHDSACASA-N
MW370.83 g/mol
LogP1.71
Rot. Bonds8

About 4-(2-amino-2-oxoethoxy)-3-chloro-N-ethyl-5-methoxy-N-[[(3S)-oxolan-3-yl]methyl]benzamide

4-(2-amino-2-oxoethoxy)-3-chloro-N-ethyl-5-methoxy-N-[[(3S)-oxolan-3-yl]methyl]benzamide (PubChem CID 52511585) has the molecular formula C17H23ClN2O5 and a molecular weight of 370.83 g/mol. Its IUPAC name is 4-(2-amino-2-oxoethoxy)-3-chloro-N-ethyl-5-methoxy-N-[[(3S)-oxolan-3-yl]methyl]benzamide.

Molecular Properties

Compound Name4-(2-amino-2-oxoethoxy)-3-chloro-N-ethyl-5-methoxy-N-[[(3S)-oxolan-3-yl]methyl]benzamide
PubChem CID52511585
Molecular FormulaC17H23ClN2O5
Molecular Weight370.83 g/mol
Exact Mass370.13
IUPAC Name4-(2-amino-2-oxoethoxy)-3-chloro-N-ethyl-5-methoxy-N-[[(3S)-oxolan-3-yl]methyl]benzamide
SMILESCCN(C[C@@H]1CCOC1)C(=O)c1cc(Cl)c(OCC(N)=O)c(OC)c1
InChIInChI=1S/C17H23ClN2O5/c1-3-20(8-11-4-5-24-9-11)17(22)12-6-13(18)16(14(7-12)23-2)25-10-15(19)21/h6-7,11H,3-5,8-10H2,1-2H3,(H2,19,21)/t11-/m0/s1
InChIKeyJWIOKEVVWJHTAA-NSHDSACASA-N
XLogP1.71
TPSA91.09 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.83
LogP ≤ 51.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 4-(2-amino-2-oxoethoxy)-3-chloro-N-ethyl-5-methoxy-N-[[(3S)-oxolan-3-yl]methyl]benzamide with MolForge

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Related Compounds

N-ethyl-5-methoxy-N-[[(3S)-oxolan-3-yl]methyl]-2,3-dihydro-1,4-benzodioxine-7-carboxamide
CID 95127027
4-(2-amino-2-oxoethoxy)-3-chloro-N-[(3,4-dichlorophenyl)methyl]-N-ethyl-5-methoxybenzamide
CID 55916919
3-amino-N-ethyl-4-methoxy-N-(oxolan-3-ylmethyl)benzamide
CID 61115387
4-(2-amino-2-oxoethoxy)-N-(1-aminopropan-2-yl)-3-chloro-5-methoxy-N-methylbenzamide
CID 119584039
N-ethyl-4,5-dimethoxy-2-nitro-N-[[(3R)-oxolan-3-yl]methyl]benzamide
CID 94799727
3-bromo-N-ethyl-5-methyl-N-(oxolan-3-ylmethyl)benzamide
CID 104852419
4-(2-amino-2-oxoethoxy)-3-chloro-5-methoxy-N-methyl-N-[(3S)-pyrrolidin-3-yl]benzamide
CID 125134434
N-(4-aminocyclohexyl)-4-(2-amino-2-oxoethoxy)-3-chloro-5-methoxybenzamide;hydrochloride
CID 119477661
2-[2-chloro-4-[(cyclobutylmethylamino)methyl]-6-methoxyphenoxy]acetamide
CID 43298481
2-[2-chloro-4-[(cyclopropylamino)methyl]-6-methoxyphenoxy]acetamide
CID 4720907
3-amino-4-(dimethylamino)-N-ethyl-N-(oxolan-3-ylmethyl)benzamide
CID 61114252
4-(2-amino-2-oxoethoxy)-3-chloro-N-[(4S)-3,4-dihydro-2H-chromen-4-yl]-5-methoxybenzamide
CID 26238768

Frequently Asked Questions

What is the IUPAC name of 4-(2-amino-2-oxoethoxy)-3-chloro-N-ethyl-5-methoxy-N-[[(3S)-oxolan-3-yl]methyl]benzamide?
The IUPAC name of 4-(2-amino-2-oxoethoxy)-3-chloro-N-ethyl-5-methoxy-N-[[(3S)-oxolan-3-yl]methyl]benzamide (CID 52511585) is 4-(2-amino-2-oxoethoxy)-3-chloro-N-ethyl-5-methoxy-N-[[(3S)-oxolan-3-yl]methyl]benzamide.
What is the SMILES notation for 4-(2-amino-2-oxoethoxy)-3-chloro-N-ethyl-5-methoxy-N-[[(3S)-oxolan-3-yl]methyl]benzamide?
The canonical SMILES for 4-(2-amino-2-oxoethoxy)-3-chloro-N-ethyl-5-methoxy-N-[[(3S)-oxolan-3-yl]methyl]benzamide is CCN(C[C@@H]1CCOC1)C(=O)c1cc(Cl)c(OCC(N)=O)c(OC)c1.
What is the InChIKey of 4-(2-amino-2-oxoethoxy)-3-chloro-N-ethyl-5-methoxy-N-[[(3S)-oxolan-3-yl]methyl]benzamide?
The InChIKey is JWIOKEVVWJHTAA-NSHDSACASA-N. The full InChI is InChI=1S/C17H23ClN2O5/c1-3-20(8-11-4-5-24-9-11)17(22)12-6-13(18)16(14(7-12)23-2)25-10-15(19)21/h6-7,11H,3-5,8-10H2,1-2H3,(H2,19,21)/t11-/m0/s1.
What are the key properties of 4-(2-amino-2-oxoethoxy)-3-chloro-N-ethyl-5-methoxy-N-[[(3S)-oxolan-3-yl]methyl]benzamide?
4-(2-amino-2-oxoethoxy)-3-chloro-N-ethyl-5-methoxy-N-[[(3S)-oxolan-3-yl]methyl]benzamide has a molecular weight of 370.83 g/mol, XLogP of 1.71, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-amino-2-oxoethoxy)-3-chloro-N-ethyl-5-methoxy-N-[[(3S)-oxolan-3-yl]methyl]benzamide is sourced from PubChem (CID 52511585), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).