N-[(1R)-1-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]-4-(4-methoxyphenyl)oxane-4-carboxamide

C23H27NO5 — CID 92612308

IUPACN-[(1R)-1-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]-4-(4-methoxyphenyl)oxane-4-carboxamide
SMILESCOc1ccc(C2(C(=O)N[C@H](C)c3ccc4c(c3)OCCO4)CCOCC2)cc1
InChIInChI=1S/C23H27NO5/c1-16(17-3-8-20-21(15-17)29-14-13-28-20)24-22(25)23(9-11-27-12-10-23)18-4-6-19(26-2)7-5-18/h3-8,15-16H,9-14H2,1-2H3,(H,24,25)/t16-/m1/s1
InChIKeyNHVFFWFVGGZLHP-MRXNPFEDSA-N
MW397.47 g/mol
LogP3.39
Rot. Bonds5

About N-[(1R)-1-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]-4-(4-methoxyphenyl)oxane-4-carboxamide

N-[(1R)-1-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]-4-(4-methoxyphenyl)oxane-4-carboxamide (PubChem CID 92612308) has the molecular formula C23H27NO5 and a molecular weight of 397.47 g/mol. Its IUPAC name is N-[(1R)-1-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]-4-(4-methoxyphenyl)oxane-4-carboxamide.

Molecular Properties

Compound NameN-[(1R)-1-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]-4-(4-methoxyphenyl)oxane-4-carboxamide
PubChem CID92612308
Molecular FormulaC23H27NO5
Molecular Weight397.47 g/mol
Exact Mass397.19
IUPAC NameN-[(1R)-1-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]-4-(4-methoxyphenyl)oxane-4-carboxamide
SMILESCOc1ccc(C2(C(=O)N[C@H](C)c3ccc4c(c3)OCCO4)CCOCC2)cc1
InChIInChI=1S/C23H27NO5/c1-16(17-3-8-20-21(15-17)29-14-13-28-20)24-22(25)23(9-11-27-12-10-23)18-4-6-19(26-2)7-5-18/h3-8,15-16H,9-14H2,1-2H3,(H,24,25)/t16-/m1/s1
InChIKeyNHVFFWFVGGZLHP-MRXNPFEDSA-N
XLogP3.39
TPSA66.02 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500397.47
LogP ≤ 53.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze N-[(1R)-1-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]-4-(4-methoxyphenyl)oxane-4-carboxamide with MolForge

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Related Compounds

N-[1-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]-4-(4-methoxyphenyl)oxane-4-carboxamide
CID 46979727
4-(4-methoxyphenyl)-N-[1-(4-morpholin-4-ylphenyl)ethyl]oxane-4-carboxamide
CID 46977488
N-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-(4-methoxyphenyl)cyclopropane-1-carboxamide
CID 113198536
N-[(1R)-1-(4-methoxyphenyl)-3-methylbutyl]-4-phenyloxane-4-carboxamide
CID 100723506
1-amino-N-[1-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]cyclopropane-1-carboxamide
CID 65463806
1-amino-N-[1-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]cyclohexane-1-carboxamide
CID 119270835
4-amino-N-[(1S)-1-(4-methoxyphenyl)ethyl]oxane-4-carboxamide
CID 115295221
N-[1-(4-methoxyphenyl)ethyl]-1-phenylcyclobutane-1-carboxamide
CID 110437540
N-[1-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)ethyl]-4-(4-methoxyphenyl)piperazine-1-carboxamide
CID 55683744
N-[1-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]-2-methoxypropanamide
CID 115588112
4-(aminomethyl)-N-[(1S)-1-(4-methoxyphenyl)ethyl]oxane-4-carboxamide
CID 115439766
4-(4-methoxyphenyl)-N-[1-(1-methylbenzimidazol-2-yl)ethyl]oxane-4-carboxamide
CID 86207187

Frequently Asked Questions

What is the IUPAC name of N-[(1R)-1-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]-4-(4-methoxyphenyl)oxane-4-carboxamide?
The IUPAC name of N-[(1R)-1-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]-4-(4-methoxyphenyl)oxane-4-carboxamide (CID 92612308) is N-[(1R)-1-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]-4-(4-methoxyphenyl)oxane-4-carboxamide.
What is the SMILES notation for N-[(1R)-1-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]-4-(4-methoxyphenyl)oxane-4-carboxamide?
The canonical SMILES for N-[(1R)-1-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]-4-(4-methoxyphenyl)oxane-4-carboxamide is COc1ccc(C2(C(=O)N[C@H](C)c3ccc4c(c3)OCCO4)CCOCC2)cc1.
What is the InChIKey of N-[(1R)-1-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]-4-(4-methoxyphenyl)oxane-4-carboxamide?
The InChIKey is NHVFFWFVGGZLHP-MRXNPFEDSA-N. The full InChI is InChI=1S/C23H27NO5/c1-16(17-3-8-20-21(15-17)29-14-13-28-20)24-22(25)23(9-11-27-12-10-23)18-4-6-19(26-2)7-5-18/h3-8,15-16H,9-14H2,1-2H3,(H,24,25)/t16-/m1/s1.
What are the key properties of N-[(1R)-1-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]-4-(4-methoxyphenyl)oxane-4-carboxamide?
N-[(1R)-1-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]-4-(4-methoxyphenyl)oxane-4-carboxamide has a molecular weight of 397.47 g/mol, XLogP of 3.39, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1R)-1-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]-4-(4-methoxyphenyl)oxane-4-carboxamide is sourced from PubChem (CID 92612308), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).