1-N,4-N-bis[(2R)-1-methoxypropan-2-yl]benzene-1,4-dicarboxamide

C16H24N2O4 — CID 25476067

IUPAC1-N,4-N-bis[(2R)-1-methoxypropan-2-yl]benzene-1,4-dicarboxamide
SMILESCOC[C@@H](C)NC(=O)c1ccc(C(=O)N[C@H](C)COC)cc1
InChIInChI=1S/C16H24N2O4/c1-11(9-21-3)17-15(19)13-5-7-14(8-6-13)16(20)18-12(2)10-22-4/h5-8,11-12H,9-10H2,1-4H3,(H,17,19)(H,18,20)/t11-,12-/m1/s1
InChIKeyIFVOVUZOZOTKEC-VXGBXAGGSA-N
MW308.38 g/mol
LogP1.22
Rot. Bonds8

About 1-N,4-N-bis[(2R)-1-methoxypropan-2-yl]benzene-1,4-dicarboxamide

1-N,4-N-bis[(2R)-1-methoxypropan-2-yl]benzene-1,4-dicarboxamide (PubChem CID 25476067) has the molecular formula C16H24N2O4 and a molecular weight of 308.38 g/mol. Its IUPAC name is 1-N,4-N-bis[(2R)-1-methoxypropan-2-yl]benzene-1,4-dicarboxamide.

Molecular Properties

Compound Name1-N,4-N-bis[(2R)-1-methoxypropan-2-yl]benzene-1,4-dicarboxamide
PubChem CID25476067
Molecular FormulaC16H24N2O4
Molecular Weight308.38 g/mol
Exact Mass308.17
IUPAC Name1-N,4-N-bis[(2R)-1-methoxypropan-2-yl]benzene-1,4-dicarboxamide
SMILESCOC[C@@H](C)NC(=O)c1ccc(C(=O)N[C@H](C)COC)cc1
InChIInChI=1S/C16H24N2O4/c1-11(9-21-3)17-15(19)13-5-7-14(8-6-13)16(20)18-12(2)10-22-4/h5-8,11-12H,9-10H2,1-4H3,(H,17,19)(H,18,20)/t11-,12-/m1/s1
InChIKeyIFVOVUZOZOTKEC-VXGBXAGGSA-N
XLogP1.22
TPSA76.66 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.38
LogP ≤ 51.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-(dimethylamino)-N-(1-methoxypropan-2-yl)benzamide
CID 2904147
N-[(2R)-1-methoxypropan-2-yl]-3,4-dimethylbenzamide
CID 5390617
4-benzamido-N-(1-methoxypropan-2-yl)benzamide
CID 17153292
N-(1-methoxypropan-2-yl)-4-pyrrol-1-ylbenzamide
CID 18161077
N-[(2S)-1-methoxypropan-2-yl]-4-pyrimidin-5-ylbenzamide
CID 126441503
4-(3-aminoprop-1-ynyl)-N-(1-methoxypropan-2-yl)benzamide
CID 60821559
4-methoxy-N-(1-methoxypropan-2-yl)-3-methylbenzamide
CID 18892567
tert-butyl N-[4-(1-methoxypropan-2-ylcarbamoyl)phenyl]carbamate
CID 45351440
3,5-dichloro-N-[(2R)-1-methoxypropan-2-yl]benzamide
CID 30481549
N-[(2R)-1-methoxypropan-2-yl]-4-(1,2,4-oxadiazol-3-yl)benzamide
CID 154835530
N-[(2R)-1-methoxypropan-2-yl]-4-pyrazol-1-ylbenzamide
CID 94065165
4-fluoro-N-(1-methoxypropan-2-yl)-3-sulfanylbenzamide
CID 107020016

Frequently Asked Questions

What is the IUPAC name of 1-N,4-N-bis[(2R)-1-methoxypropan-2-yl]benzene-1,4-dicarboxamide?
The IUPAC name of 1-N,4-N-bis[(2R)-1-methoxypropan-2-yl]benzene-1,4-dicarboxamide (CID 25476067) is 1-N,4-N-bis[(2R)-1-methoxypropan-2-yl]benzene-1,4-dicarboxamide.
What is the SMILES notation for 1-N,4-N-bis[(2R)-1-methoxypropan-2-yl]benzene-1,4-dicarboxamide?
The canonical SMILES for 1-N,4-N-bis[(2R)-1-methoxypropan-2-yl]benzene-1,4-dicarboxamide is COC[C@@H](C)NC(=O)c1ccc(C(=O)N[C@H](C)COC)cc1.
What is the InChIKey of 1-N,4-N-bis[(2R)-1-methoxypropan-2-yl]benzene-1,4-dicarboxamide?
The InChIKey is IFVOVUZOZOTKEC-VXGBXAGGSA-N. The full InChI is InChI=1S/C16H24N2O4/c1-11(9-21-3)17-15(19)13-5-7-14(8-6-13)16(20)18-12(2)10-22-4/h5-8,11-12H,9-10H2,1-4H3,(H,17,19)(H,18,20)/t11-,12-/m1/s1.
What are the key properties of 1-N,4-N-bis[(2R)-1-methoxypropan-2-yl]benzene-1,4-dicarboxamide?
1-N,4-N-bis[(2R)-1-methoxypropan-2-yl]benzene-1,4-dicarboxamide has a molecular weight of 308.38 g/mol, XLogP of 1.22, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N,4-N-bis[(2R)-1-methoxypropan-2-yl]benzene-1,4-dicarboxamide is sourced from PubChem (CID 25476067), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).