2-[4-[[[(3R)-3,4-dihydro-2H-chromen-3-yl]amino]methyl]-2-methoxyphenoxy]-N-ethylacetamide

C21H26N2O4 — CID 124683552

IUPAC2-[4-[[[(3R)-3,4-dihydro-2H-chromen-3-yl]amino]methyl]-2-methoxyphenoxy]-N-ethylacetamide
SMILESCCNC(=O)COc1ccc(CN[C@H]2COc3ccccc3C2)cc1OC
InChIInChI=1S/C21H26N2O4/c1-3-22-21(24)14-27-19-9-8-15(10-20(19)25-2)12-23-17-11-16-6-4-5-7-18(16)26-13-17/h4-10,17,23H,3,11-14H2,1-2H3,(H,22,24)/t17-/m1/s1
InChIKeyVJUSCPLQIHBILJ-QGZVFWFLSA-N
MW370.45 g/mol
LogP2.30
Rot. Bonds8

About 2-[4-[[[(3R)-3,4-dihydro-2H-chromen-3-yl]amino]methyl]-2-methoxyphenoxy]-N-ethylacetamide

2-[4-[[[(3R)-3,4-dihydro-2H-chromen-3-yl]amino]methyl]-2-methoxyphenoxy]-N-ethylacetamide (PubChem CID 124683552) has the molecular formula C21H26N2O4 and a molecular weight of 370.45 g/mol. Its IUPAC name is 2-[4-[[[(3R)-3,4-dihydro-2H-chromen-3-yl]amino]methyl]-2-methoxyphenoxy]-N-ethylacetamide.

Molecular Properties

Compound Name2-[4-[[[(3R)-3,4-dihydro-2H-chromen-3-yl]amino]methyl]-2-methoxyphenoxy]-N-ethylacetamide
PubChem CID124683552
Molecular FormulaC21H26N2O4
Molecular Weight370.45 g/mol
Exact Mass370.19
IUPAC Name2-[4-[[[(3R)-3,4-dihydro-2H-chromen-3-yl]amino]methyl]-2-methoxyphenoxy]-N-ethylacetamide
SMILESCCNC(=O)COc1ccc(CN[C@H]2COc3ccccc3C2)cc1OC
InChIInChI=1S/C21H26N2O4/c1-3-22-21(24)14-27-19-9-8-15(10-20(19)25-2)12-23-17-11-16-6-4-5-7-18(16)26-13-17/h4-10,17,23H,3,11-14H2,1-2H3,(H,22,24)/t17-/m1/s1
InChIKeyVJUSCPLQIHBILJ-QGZVFWFLSA-N
XLogP2.30
TPSA68.82 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.45
LogP ≤ 52.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 2-[4-[[[(3R)-3,4-dihydro-2H-chromen-3-yl]amino]methyl]-2-methoxyphenoxy]-N-ethylacetamide with MolForge

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Related Compounds

2-[5-[(cyclopropylamino)methyl]-2-methoxyphenoxy]-N-ethylacetamide
CID 43278862
N-[[4-[2-(ethylamino)-2-oxoethoxy]-3-methoxyphenyl]methyl]-9H-xanthene-9-carboxamide
CID 55781233
N-[[4-[2-(ethylamino)-2-oxoethoxy]-3-methoxyphenyl]methyl]-2,3-dihydro-1-benzothiophene-2-carboxamide
CID 55745665
2-[4-[[[(2R)-butan-2-yl]amino]methyl]-2-methoxyphenoxy]-N-ethylacetamide
CID 94458976
N-[(3,4-dimethoxyphenyl)methyl]-2-(2-methoxyphenoxy)acetamide
CID 7928589
2-[4-[[[cyclobutyl(phenyl)methyl]amino]methyl]-2-methoxyphenoxy]-N-ethylacetamide
CID 119122063
methyl 2-[4-[(cyclopropylamino)methyl]-2-methoxyphenoxy]acetate
CID 60881875
N-[[4-[2-(ethylamino)-2-oxoethoxy]-3-methoxyphenyl]methyl]-2-(5,6,7,8-tetrahydronaphthalen-2-yl)acetamide
CID 55745756
2-[5-[[(3S)-3,4-dihydro-2H-chromen-3-yl]carbamoyl]-2-methoxyphenoxy]acetic acid
CID 97233703
N-ethyl-2-[2-methoxy-4-[[(2-methyl-1-phenylpropyl)amino]methyl]phenoxy]acetamide
CID 86908275
3-amino-N-[[4-[2-(ethylamino)-2-oxoethoxy]-3-methoxyphenyl]methyl]-3-phenylpropanamide
CID 119949555
N-(3,4-dihydro-2H-chromen-3-yl)-2-(2-methylphenoxy)acetamide
CID 110751539

Frequently Asked Questions

What is the IUPAC name of 2-[4-[[[(3R)-3,4-dihydro-2H-chromen-3-yl]amino]methyl]-2-methoxyphenoxy]-N-ethylacetamide?
The IUPAC name of 2-[4-[[[(3R)-3,4-dihydro-2H-chromen-3-yl]amino]methyl]-2-methoxyphenoxy]-N-ethylacetamide (CID 124683552) is 2-[4-[[[(3R)-3,4-dihydro-2H-chromen-3-yl]amino]methyl]-2-methoxyphenoxy]-N-ethylacetamide.
What is the SMILES notation for 2-[4-[[[(3R)-3,4-dihydro-2H-chromen-3-yl]amino]methyl]-2-methoxyphenoxy]-N-ethylacetamide?
The canonical SMILES for 2-[4-[[[(3R)-3,4-dihydro-2H-chromen-3-yl]amino]methyl]-2-methoxyphenoxy]-N-ethylacetamide is CCNC(=O)COc1ccc(CN[C@H]2COc3ccccc3C2)cc1OC.
What is the InChIKey of 2-[4-[[[(3R)-3,4-dihydro-2H-chromen-3-yl]amino]methyl]-2-methoxyphenoxy]-N-ethylacetamide?
The InChIKey is VJUSCPLQIHBILJ-QGZVFWFLSA-N. The full InChI is InChI=1S/C21H26N2O4/c1-3-22-21(24)14-27-19-9-8-15(10-20(19)25-2)12-23-17-11-16-6-4-5-7-18(16)26-13-17/h4-10,17,23H,3,11-14H2,1-2H3,(H,22,24)/t17-/m1/s1.
What are the key properties of 2-[4-[[[(3R)-3,4-dihydro-2H-chromen-3-yl]amino]methyl]-2-methoxyphenoxy]-N-ethylacetamide?
2-[4-[[[(3R)-3,4-dihydro-2H-chromen-3-yl]amino]methyl]-2-methoxyphenoxy]-N-ethylacetamide has a molecular weight of 370.45 g/mol, XLogP of 2.30, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[[[(3R)-3,4-dihydro-2H-chromen-3-yl]amino]methyl]-2-methoxyphenoxy]-N-ethylacetamide is sourced from PubChem (CID 124683552), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).