N-[(3S,4R)-3-[2-(dimethylamino)-2-oxoethoxy]oxan-4-yl]-2-methyl-1-benzofuran-5-carboxamide

C19H24N2O5 — CID 91778744

IUPACN-[(3S,4R)-3-[2-(dimethylamino)-2-oxoethoxy]oxan-4-yl]-2-methyl-1-benzofuran-5-carboxamide
SMILESCc1cc2cc(C(=O)N[C@@H]3CCOC[C@H]3OCC(=O)N(C)C)ccc2o1
InChIInChI=1S/C19H24N2O5/c1-12-8-14-9-13(4-5-16(14)26-12)19(23)20-15-6-7-24-10-17(15)25-11-18(22)21(2)3/h4-5,8-9,15,17H,6-7,10-11H2,1-3H3,(H,20,23)/t15-,17-/m1/s1
InChIKeyPAARMXMRISSGEE-NVXWUHKLSA-N
MW360.41 g/mol
LogP1.73
Rot. Bonds5

About N-[(3S,4R)-3-[2-(dimethylamino)-2-oxoethoxy]oxan-4-yl]-2-methyl-1-benzofuran-5-carboxamide

N-[(3S,4R)-3-[2-(dimethylamino)-2-oxoethoxy]oxan-4-yl]-2-methyl-1-benzofuran-5-carboxamide (PubChem CID 91778744) has the molecular formula C19H24N2O5 and a molecular weight of 360.41 g/mol. Its IUPAC name is N-[(3S,4R)-3-[2-(dimethylamino)-2-oxoethoxy]oxan-4-yl]-2-methyl-1-benzofuran-5-carboxamide.

Molecular Properties

Compound NameN-[(3S,4R)-3-[2-(dimethylamino)-2-oxoethoxy]oxan-4-yl]-2-methyl-1-benzofuran-5-carboxamide
PubChem CID91778744
Molecular FormulaC19H24N2O5
Molecular Weight360.41 g/mol
Exact Mass360.17
IUPAC NameN-[(3S,4R)-3-[2-(dimethylamino)-2-oxoethoxy]oxan-4-yl]-2-methyl-1-benzofuran-5-carboxamide
SMILESCc1cc2cc(C(=O)N[C@@H]3CCOC[C@H]3OCC(=O)N(C)C)ccc2o1
InChIInChI=1S/C19H24N2O5/c1-12-8-14-9-13(4-5-16(14)26-12)19(23)20-15-6-7-24-10-17(15)25-11-18(22)21(2)3/h4-5,8-9,15,17H,6-7,10-11H2,1-3H3,(H,20,23)/t15-,17-/m1/s1
InChIKeyPAARMXMRISSGEE-NVXWUHKLSA-N
XLogP1.73
TPSA81.01 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.41
LogP ≤ 51.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3-chloro-N-[(3R,4S)-3-[2-(dimethylamino)-2-oxoethoxy]oxan-4-yl]-4-fluorobenzamide
CID 164636415
N-[(3S,4R)-3-[2-(dimethylamino)-2-oxoethoxy]oxan-4-yl]-2-methylsulfanylbenzamide
CID 91785227
N-[(3S,4R)-3-[2-(dimethylamino)-2-oxoethoxy]oxan-4-yl]-2,4-dioxo-1H-pyrimidine-5-carboxamide
CID 91772540
N-(3-ethoxyoxan-4-yl)-4-(4-methoxyphenoxy)benzamide
CID 156608381
2-methyl-N-[(1R,5S,6R)-2-oxabicyclo[3.2.0]heptan-6-yl]-1-benzofuran-5-carboxamide
CID 133266448
N,N-dimethyl-2-[(3S,4R)-4-(propan-2-ylamino)oxan-3-yl]oxyacetamide
CID 91798255
N-[(3S,4R)-3-(2-amino-2-oxoethoxy)oxan-4-yl]-4-methyl-3-oxo-1,4-benzoxazine-6-carboxamide
CID 91780574
2-[(3S,4R)-4-(methanesulfonamido)oxan-3-yl]oxy-N,N-dimethylacetamide
CID 91795253
N-[(3R,4S)-4-[2-(dimethylamino)-2-oxoethoxy]oxan-3-yl]naphthalene-1-carboxamide
CID 91767911
N-[(3S,7S,8aS)-3-[2-(dimethylamino)-2-oxoethyl]-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[2,1-c][1,4]oxazin-7-yl]-2-methyl-1-benzofuran-5-carboxamide
CID 155493772
N-[(3S,4R)-3-[2-(dimethylamino)-2-oxoethoxy]oxan-4-yl]-1-(2-fluorophenyl)cyclopropane-1-carboxamide
CID 91797893
N-[(3S,4R)-3-ethoxyoxan-4-yl]-4-morpholin-4-ylbenzamide
CID 91764505

Frequently Asked Questions

What is the IUPAC name of N-[(3S,4R)-3-[2-(dimethylamino)-2-oxoethoxy]oxan-4-yl]-2-methyl-1-benzofuran-5-carboxamide?
The IUPAC name of N-[(3S,4R)-3-[2-(dimethylamino)-2-oxoethoxy]oxan-4-yl]-2-methyl-1-benzofuran-5-carboxamide (CID 91778744) is N-[(3S,4R)-3-[2-(dimethylamino)-2-oxoethoxy]oxan-4-yl]-2-methyl-1-benzofuran-5-carboxamide.
What is the SMILES notation for N-[(3S,4R)-3-[2-(dimethylamino)-2-oxoethoxy]oxan-4-yl]-2-methyl-1-benzofuran-5-carboxamide?
The canonical SMILES for N-[(3S,4R)-3-[2-(dimethylamino)-2-oxoethoxy]oxan-4-yl]-2-methyl-1-benzofuran-5-carboxamide is Cc1cc2cc(C(=O)N[C@@H]3CCOC[C@H]3OCC(=O)N(C)C)ccc2o1.
What is the InChIKey of N-[(3S,4R)-3-[2-(dimethylamino)-2-oxoethoxy]oxan-4-yl]-2-methyl-1-benzofuran-5-carboxamide?
The InChIKey is PAARMXMRISSGEE-NVXWUHKLSA-N. The full InChI is InChI=1S/C19H24N2O5/c1-12-8-14-9-13(4-5-16(14)26-12)19(23)20-15-6-7-24-10-17(15)25-11-18(22)21(2)3/h4-5,8-9,15,17H,6-7,10-11H2,1-3H3,(H,20,23)/t15-,17-/m1/s1.
What are the key properties of N-[(3S,4R)-3-[2-(dimethylamino)-2-oxoethoxy]oxan-4-yl]-2-methyl-1-benzofuran-5-carboxamide?
N-[(3S,4R)-3-[2-(dimethylamino)-2-oxoethoxy]oxan-4-yl]-2-methyl-1-benzofuran-5-carboxamide has a molecular weight of 360.41 g/mol, XLogP of 1.73, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3S,4R)-3-[2-(dimethylamino)-2-oxoethoxy]oxan-4-yl]-2-methyl-1-benzofuran-5-carboxamide is sourced from PubChem (CID 91778744), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).