2,4-dimethoxy-N-[(3S,4S)-3-(oxan-4-yl)oxan-4-yl]benzamide

C19H27NO5 — CID 91794863

IUPAC2,4-dimethoxy-N-[(3S,4S)-3-(oxan-4-yl)oxan-4-yl]benzamide
SMILESCOc1ccc(C(=O)N[C@H]2CCOC[C@H]2C2CCOCC2)c(OC)c1
InChIInChI=1S/C19H27NO5/c1-22-14-3-4-15(18(11-14)23-2)19(21)20-17-7-10-25-12-16(17)13-5-8-24-9-6-13/h3-4,11,13,16-17H,5-10,12H2,1-2H3,(H,20,21)/t16-,17-/m0/s1
InChIKeyYVIZSBHBEZBVND-IRXDYDNUSA-N
MW349.43 g/mol
LogP2.27
Rot. Bonds5

About 2,4-dimethoxy-N-[(3S,4S)-3-(oxan-4-yl)oxan-4-yl]benzamide

2,4-dimethoxy-N-[(3S,4S)-3-(oxan-4-yl)oxan-4-yl]benzamide (PubChem CID 91794863) has the molecular formula C19H27NO5 and a molecular weight of 349.43 g/mol. Its IUPAC name is 2,4-dimethoxy-N-[(3S,4S)-3-(oxan-4-yl)oxan-4-yl]benzamide.

Molecular Properties

Compound Name2,4-dimethoxy-N-[(3S,4S)-3-(oxan-4-yl)oxan-4-yl]benzamide
PubChem CID91794863
Molecular FormulaC19H27NO5
Molecular Weight349.43 g/mol
Exact Mass349.19
IUPAC Name2,4-dimethoxy-N-[(3S,4S)-3-(oxan-4-yl)oxan-4-yl]benzamide
SMILESCOc1ccc(C(=O)N[C@H]2CCOC[C@H]2C2CCOCC2)c(OC)c1
InChIInChI=1S/C19H27NO5/c1-22-14-3-4-15(18(11-14)23-2)19(21)20-17-7-10-25-12-16(17)13-5-8-24-9-6-13/h3-4,11,13,16-17H,5-10,12H2,1-2H3,(H,20,21)/t16-,17-/m0/s1
InChIKeyYVIZSBHBEZBVND-IRXDYDNUSA-N
XLogP2.27
TPSA66.02 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.43
LogP ≤ 52.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2,4-dimethoxy-N-[(3S,4S)-3-(oxan-4-yl)oxan-4-yl]benzamide?
The IUPAC name of 2,4-dimethoxy-N-[(3S,4S)-3-(oxan-4-yl)oxan-4-yl]benzamide (CID 91794863) is 2,4-dimethoxy-N-[(3S,4S)-3-(oxan-4-yl)oxan-4-yl]benzamide.
What is the SMILES notation for 2,4-dimethoxy-N-[(3S,4S)-3-(oxan-4-yl)oxan-4-yl]benzamide?
The canonical SMILES for 2,4-dimethoxy-N-[(3S,4S)-3-(oxan-4-yl)oxan-4-yl]benzamide is COc1ccc(C(=O)N[C@H]2CCOC[C@H]2C2CCOCC2)c(OC)c1.
What is the InChIKey of 2,4-dimethoxy-N-[(3S,4S)-3-(oxan-4-yl)oxan-4-yl]benzamide?
The InChIKey is YVIZSBHBEZBVND-IRXDYDNUSA-N. The full InChI is InChI=1S/C19H27NO5/c1-22-14-3-4-15(18(11-14)23-2)19(21)20-17-7-10-25-12-16(17)13-5-8-24-9-6-13/h3-4,11,13,16-17H,5-10,12H2,1-2H3,(H,20,21)/t16-,17-/m0/s1.
What are the key properties of 2,4-dimethoxy-N-[(3S,4S)-3-(oxan-4-yl)oxan-4-yl]benzamide?
2,4-dimethoxy-N-[(3S,4S)-3-(oxan-4-yl)oxan-4-yl]benzamide has a molecular weight of 349.43 g/mol, XLogP of 2.27, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-dimethoxy-N-[(3S,4S)-3-(oxan-4-yl)oxan-4-yl]benzamide is sourced from PubChem (CID 91794863), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).