methyl 2-[4-[[(2R,4R)-2-methyl-3,4-dihydro-2H-chromen-4-yl]carbamoyl]phenoxy]acetate

C20H21NO5 — CID 136582428

IUPACmethyl 2-[4-[[(2R,4R)-2-methyl-3,4-dihydro-2H-chromen-4-yl]carbamoyl]phenoxy]acetate
SMILESCOC(=O)COc1ccc(C(=O)N[C@@H]2C[C@@H](C)Oc3ccccc32)cc1
InChIInChI=1S/C20H21NO5/c1-13-11-17(16-5-3-4-6-18(16)26-13)21-20(23)14-7-9-15(10-8-14)25-12-19(22)24-2/h3-10,13,17H,11-12H2,1-2H3,(H,21,23)/t13-,17-/m1/s1
InChIKeyGSOIRTMFSUUCND-CXAGYDPISA-N
MW355.39 g/mol
LogP2.88
Rot. Bonds5

About methyl 2-[4-[[(2R,4R)-2-methyl-3,4-dihydro-2H-chromen-4-yl]carbamoyl]phenoxy]acetate

methyl 2-[4-[[(2R,4R)-2-methyl-3,4-dihydro-2H-chromen-4-yl]carbamoyl]phenoxy]acetate (PubChem CID 136582428) has the molecular formula C20H21NO5 and a molecular weight of 355.39 g/mol. Its IUPAC name is methyl 2-[4-[[(2R,4R)-2-methyl-3,4-dihydro-2H-chromen-4-yl]carbamoyl]phenoxy]acetate.

Molecular Properties

Compound Namemethyl 2-[4-[[(2R,4R)-2-methyl-3,4-dihydro-2H-chromen-4-yl]carbamoyl]phenoxy]acetate
PubChem CID136582428
Molecular FormulaC20H21NO5
Molecular Weight355.39 g/mol
Exact Mass355.14
IUPAC Namemethyl 2-[4-[[(2R,4R)-2-methyl-3,4-dihydro-2H-chromen-4-yl]carbamoyl]phenoxy]acetate
SMILESCOC(=O)COc1ccc(C(=O)N[C@@H]2C[C@@H](C)Oc3ccccc32)cc1
InChIInChI=1S/C20H21NO5/c1-13-11-17(16-5-3-4-6-18(16)26-13)21-20(23)14-7-9-15(10-8-14)25-12-19(22)24-2/h3-10,13,17H,11-12H2,1-2H3,(H,21,23)/t13-,17-/m1/s1
InChIKeyGSOIRTMFSUUCND-CXAGYDPISA-N
XLogP2.88
TPSA73.86 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.39
LogP ≤ 52.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze methyl 2-[4-[[(2R,4R)-2-methyl-3,4-dihydro-2H-chromen-4-yl]carbamoyl]phenoxy]acetate with MolForge

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Related Compounds

4-butoxy-N-(3,4-dihydro-2H-chromen-4-yl)benzamide
CID 46655099
N-(3,4-dihydro-2H-chromen-4-yl)-4-(2-methylpropoxy)benzamide
CID 47006594
N-[(4R)-3,4-dihydro-2H-chromen-4-yl]-4-(2,2,2-trifluoroethoxy)benzamide
CID 39096701
N-[(4S)-2,2-diethyl-3,4-dihydrochromen-4-yl]-4-(2-phenylsulfanylethoxy)benzamide
CID 100622134
2-[(2R)-2-methyl-3,4-dihydro-2H-chromen-4-yl]acetic acid
CID 57035759
N-(3,4-dihydro-2H-chromen-4-yl)-4-[(1-methylimidazol-2-yl)methoxy]benzamide
CID 47038296
N-[(4S)-3,4-dihydro-2H-chromen-4-yl]-4-(1,3-thiazol-4-ylmethoxy)benzamide
CID 39969204
methyl 2-[4-[acetyl-[1-(4-methoxybenzoyl)-2-methyl-3,4-dihydro-2H-quinolin-4-yl]amino]phenoxy]acetate
CID 68921236
(2R,4R)-2-methyl-4-(sulfamoylamino)-3,4-dihydro-2H-chromene
CID 165409978
methyl 2-[4-[1,1-bis[4-(2-methoxy-2-oxoethoxy)phenyl]ethyl]phenoxy]acetate
CID 11519263
4-(2-amino-2-oxoethoxy)-N-(7-fluoro-2,2-dimethyl-3,4-dihydrochromen-4-yl)benzamide
CID 119165291
methyl 2-(4-sulfanylphenoxy)acetate
CID 20770833

Frequently Asked Questions

What is the IUPAC name of methyl 2-[4-[[(2R,4R)-2-methyl-3,4-dihydro-2H-chromen-4-yl]carbamoyl]phenoxy]acetate?
The IUPAC name of methyl 2-[4-[[(2R,4R)-2-methyl-3,4-dihydro-2H-chromen-4-yl]carbamoyl]phenoxy]acetate (CID 136582428) is methyl 2-[4-[[(2R,4R)-2-methyl-3,4-dihydro-2H-chromen-4-yl]carbamoyl]phenoxy]acetate.
What is the SMILES notation for methyl 2-[4-[[(2R,4R)-2-methyl-3,4-dihydro-2H-chromen-4-yl]carbamoyl]phenoxy]acetate?
The canonical SMILES for methyl 2-[4-[[(2R,4R)-2-methyl-3,4-dihydro-2H-chromen-4-yl]carbamoyl]phenoxy]acetate is COC(=O)COc1ccc(C(=O)N[C@@H]2C[C@@H](C)Oc3ccccc32)cc1.
What is the InChIKey of methyl 2-[4-[[(2R,4R)-2-methyl-3,4-dihydro-2H-chromen-4-yl]carbamoyl]phenoxy]acetate?
The InChIKey is GSOIRTMFSUUCND-CXAGYDPISA-N. The full InChI is InChI=1S/C20H21NO5/c1-13-11-17(16-5-3-4-6-18(16)26-13)21-20(23)14-7-9-15(10-8-14)25-12-19(22)24-2/h3-10,13,17H,11-12H2,1-2H3,(H,21,23)/t13-,17-/m1/s1.
What are the key properties of methyl 2-[4-[[(2R,4R)-2-methyl-3,4-dihydro-2H-chromen-4-yl]carbamoyl]phenoxy]acetate?
methyl 2-[4-[[(2R,4R)-2-methyl-3,4-dihydro-2H-chromen-4-yl]carbamoyl]phenoxy]acetate has a molecular weight of 355.39 g/mol, XLogP of 2.88, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[4-[[(2R,4R)-2-methyl-3,4-dihydro-2H-chromen-4-yl]carbamoyl]phenoxy]acetate is sourced from PubChem (CID 136582428), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).