4-N-[(3R,4S)-4-phenylmethoxyoxan-3-yl]benzene-1,4-dicarboxamide

C20H22N2O4 — CID 91781998

IUPAC4-N-[(3R,4S)-4-phenylmethoxyoxan-3-yl]benzene-1,4-dicarboxamide
SMILESNC(=O)c1ccc(C(=O)N[C@@H]2COCC[C@@H]2OCc2ccccc2)cc1
InChIInChI=1S/C20H22N2O4/c21-19(23)15-6-8-16(9-7-15)20(24)22-17-13-25-11-10-18(17)26-12-14-4-2-1-3-5-14/h1-9,17-18H,10-13H2,(H2,21,23)(H,22,24)/t17-,18+/m1/s1
InChIKeyKLPOVXZSJULXLV-MSOLQXFVSA-N
MW354.41 g/mol
LogP1.89
Rot. Bonds6

About 4-N-[(3R,4S)-4-phenylmethoxyoxan-3-yl]benzene-1,4-dicarboxamide

4-N-[(3R,4S)-4-phenylmethoxyoxan-3-yl]benzene-1,4-dicarboxamide (PubChem CID 91781998) has the molecular formula C20H22N2O4 and a molecular weight of 354.41 g/mol. Its IUPAC name is 4-N-[(3R,4S)-4-phenylmethoxyoxan-3-yl]benzene-1,4-dicarboxamide.

Molecular Properties

Compound Name4-N-[(3R,4S)-4-phenylmethoxyoxan-3-yl]benzene-1,4-dicarboxamide
PubChem CID91781998
Molecular FormulaC20H22N2O4
Molecular Weight354.41 g/mol
Exact Mass354.16
IUPAC Name4-N-[(3R,4S)-4-phenylmethoxyoxan-3-yl]benzene-1,4-dicarboxamide
SMILESNC(=O)c1ccc(C(=O)N[C@@H]2COCC[C@@H]2OCc2ccccc2)cc1
InChIInChI=1S/C20H22N2O4/c21-19(23)15-6-8-16(9-7-15)20(24)22-17-13-25-11-10-18(17)26-12-14-4-2-1-3-5-14/h1-9,17-18H,10-13H2,(H2,21,23)(H,22,24)/t17-,18+/m1/s1
InChIKeyKLPOVXZSJULXLV-MSOLQXFVSA-N
XLogP1.89
TPSA90.65 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.41
LogP ≤ 51.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-(hydroxymethyl)-N-[(3S,4R)-3-phenylmethoxyoxan-4-yl]benzamide
CID 91795848
2-methyl-N-[(3R,4S)-4-phenylmethoxyoxan-3-yl]pyrazole-3-carboxamide
CID 91777487
N-[(3R,4S)-4-phenylmethoxyoxan-3-yl]-1,2-oxazole-3-carboxamide
CID 91797210
N-[(3R,4S)-4-phenylmethoxyoxan-3-yl]-1H-pyrazole-5-carboxamide
CID 91780512
1,3-dimethyl-N-[(3R,4S)-4-phenylmethoxyoxan-3-yl]pyrazole-4-carboxamide
CID 91776232
N-[(3R,4S)-4-phenylmethoxyoxan-3-yl]pyrrolidine-1-carboxamide
CID 91830789
N-[(3R,4S)-4-(2-amino-2-oxoethoxy)oxan-3-yl]-4-fluorobenzamide
CID 91767703
2-(3-fluorophenyl)-N-[(3R,4S)-4-phenylmethoxyoxan-3-yl]acetamide
CID 91785233
5-methyl-N-[(3R,4S)-4-phenylmethoxyoxan-3-yl]-1H-imidazole-2-carboxamide
CID 91776631
N-[(3R,4S)-4-phenylmethoxyoxan-3-yl]-2-(1,2,4-triazol-4-yl)acetamide
CID 91765784
1-methyl-N-[(3R,4S)-4-phenylmethoxyoxan-3-yl]indole-2-carboxamide
CID 91765488
2-[methyl(propan-2-yl)amino]-N-[(3R,4S)-4-phenylmethoxyoxan-3-yl]acetamide
CID 91760455

Frequently Asked Questions

What is the IUPAC name of 4-N-[(3R,4S)-4-phenylmethoxyoxan-3-yl]benzene-1,4-dicarboxamide?
The IUPAC name of 4-N-[(3R,4S)-4-phenylmethoxyoxan-3-yl]benzene-1,4-dicarboxamide (CID 91781998) is 4-N-[(3R,4S)-4-phenylmethoxyoxan-3-yl]benzene-1,4-dicarboxamide.
What is the SMILES notation for 4-N-[(3R,4S)-4-phenylmethoxyoxan-3-yl]benzene-1,4-dicarboxamide?
The canonical SMILES for 4-N-[(3R,4S)-4-phenylmethoxyoxan-3-yl]benzene-1,4-dicarboxamide is NC(=O)c1ccc(C(=O)N[C@@H]2COCC[C@@H]2OCc2ccccc2)cc1.
What is the InChIKey of 4-N-[(3R,4S)-4-phenylmethoxyoxan-3-yl]benzene-1,4-dicarboxamide?
The InChIKey is KLPOVXZSJULXLV-MSOLQXFVSA-N. The full InChI is InChI=1S/C20H22N2O4/c21-19(23)15-6-8-16(9-7-15)20(24)22-17-13-25-11-10-18(17)26-12-14-4-2-1-3-5-14/h1-9,17-18H,10-13H2,(H2,21,23)(H,22,24)/t17-,18+/m1/s1.
What are the key properties of 4-N-[(3R,4S)-4-phenylmethoxyoxan-3-yl]benzene-1,4-dicarboxamide?
4-N-[(3R,4S)-4-phenylmethoxyoxan-3-yl]benzene-1,4-dicarboxamide has a molecular weight of 354.41 g/mol, XLogP of 1.89, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-[(3R,4S)-4-phenylmethoxyoxan-3-yl]benzene-1,4-dicarboxamide is sourced from PubChem (CID 91781998), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).