(3S)-N-(2-methoxydibenzofuran-3-yl)-3-(2-methylpropyl)morpholine-4-carboxamide

C22H26N2O4 — CID 96546401

IUPAC(3S)-N-(2-methoxydibenzofuran-3-yl)-3-(2-methylpropyl)morpholine-4-carboxamide
SMILESCOc1cc2c(cc1NC(=O)N1CCOC[C@@H]1CC(C)C)oc1ccccc12
InChIInChI=1S/C22H26N2O4/c1-14(2)10-15-13-27-9-8-24(15)22(25)23-18-12-20-17(11-21(18)26-3)16-6-4-5-7-19(16)28-20/h4-7,11-12,14-15H,8-10,13H2,1-3H3,(H,23,25)/t15-/m0/s1
InChIKeyXYZBHGGPHDFYHH-HNNXBMFYSA-N
MW382.46 g/mol
LogP4.87
Rot. Bonds4

About (3S)-N-(2-methoxydibenzofuran-3-yl)-3-(2-methylpropyl)morpholine-4-carboxamide

(3S)-N-(2-methoxydibenzofuran-3-yl)-3-(2-methylpropyl)morpholine-4-carboxamide (PubChem CID 96546401) has the molecular formula C22H26N2O4 and a molecular weight of 382.46 g/mol. Its IUPAC name is (3S)-N-(2-methoxydibenzofuran-3-yl)-3-(2-methylpropyl)morpholine-4-carboxamide.

Molecular Properties

Compound Name(3S)-N-(2-methoxydibenzofuran-3-yl)-3-(2-methylpropyl)morpholine-4-carboxamide
PubChem CID96546401
Molecular FormulaC22H26N2O4
Molecular Weight382.46 g/mol
Exact Mass382.19
IUPAC Name(3S)-N-(2-methoxydibenzofuran-3-yl)-3-(2-methylpropyl)morpholine-4-carboxamide
SMILESCOc1cc2c(cc1NC(=O)N1CCOC[C@@H]1CC(C)C)oc1ccccc12
InChIInChI=1S/C22H26N2O4/c1-14(2)10-15-13-27-9-8-24(15)22(25)23-18-12-20-17(11-21(18)26-3)16-6-4-5-7-19(16)28-20/h4-7,11-12,14-15H,8-10,13H2,1-3H3,(H,23,25)/t15-/m0/s1
InChIKeyXYZBHGGPHDFYHH-HNNXBMFYSA-N
XLogP4.87
TPSA63.94 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.46
LogP ≤ 54.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(2-Methoxydibenzofuran-3-yl)-3-methylthiourea
CID 3336081
N-(2-methoxydibenzo[b,d]furan-3-yl)-N'-propylthiourea
CID 7943253
1-Ethyl-3-(2-methoxydibenzofuran-3-yl)thiourea
CID 8017260
(E)-N-(2-Methoxy-dibenzofuran-3-yl)-3-(4-nitro-phenyl)-acrylamide
CID 1423897
N-(2-methoxydibenzo[b,d]furan-3-yl)-4-methyl-3-nitrobenzamide
CID 2684576
N-(2-methoxydibenzo[b,d]furan-3-yl)-2-methyl-3-nitrobenzamide
CID 2684640
N-(2-methoxydibenzofuran-3-yl)-2-(4-methoxyphenoxy)acetamide
CID 2711781
4-(dipropylsulfamoyl)-N-(2-methoxydibenzofuran-3-yl)benzamide
CID 2902097
N-(2-methoxydibenzo[b,d]furan-3-yl)-N'-(2-methylphenyl)thiourea
CID 2921983
N-(2-methoxy-3-dibenzofuranyl)-2-oxolanecarboxamide
CID 2970996
1-(2-Methoxydibenzofuran-3-yl)-3-(3-methylphenyl)urea
CID 4054317
1-(2-Methoxydibenzofuran-3-yl)-3-(4-methylphenyl)urea
CID 4197825

Frequently Asked Questions

What is the IUPAC name of (3S)-N-(2-methoxydibenzofuran-3-yl)-3-(2-methylpropyl)morpholine-4-carboxamide?
The IUPAC name of (3S)-N-(2-methoxydibenzofuran-3-yl)-3-(2-methylpropyl)morpholine-4-carboxamide (CID 96546401) is (3S)-N-(2-methoxydibenzofuran-3-yl)-3-(2-methylpropyl)morpholine-4-carboxamide.
What is the SMILES notation for (3S)-N-(2-methoxydibenzofuran-3-yl)-3-(2-methylpropyl)morpholine-4-carboxamide?
The canonical SMILES for (3S)-N-(2-methoxydibenzofuran-3-yl)-3-(2-methylpropyl)morpholine-4-carboxamide is COc1cc2c(cc1NC(=O)N1CCOC[C@@H]1CC(C)C)oc1ccccc12.
What is the InChIKey of (3S)-N-(2-methoxydibenzofuran-3-yl)-3-(2-methylpropyl)morpholine-4-carboxamide?
The InChIKey is XYZBHGGPHDFYHH-HNNXBMFYSA-N. The full InChI is InChI=1S/C22H26N2O4/c1-14(2)10-15-13-27-9-8-24(15)22(25)23-18-12-20-17(11-21(18)26-3)16-6-4-5-7-19(16)28-20/h4-7,11-12,14-15H,8-10,13H2,1-3H3,(H,23,25)/t15-/m0/s1.
What are the key properties of (3S)-N-(2-methoxydibenzofuran-3-yl)-3-(2-methylpropyl)morpholine-4-carboxamide?
(3S)-N-(2-methoxydibenzofuran-3-yl)-3-(2-methylpropyl)morpholine-4-carboxamide has a molecular weight of 382.46 g/mol, XLogP of 4.87, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-N-(2-methoxydibenzofuran-3-yl)-3-(2-methylpropyl)morpholine-4-carboxamide is sourced from PubChem (CID 96546401), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).