3-N-(2,3-dihydroxypropyl)-5-[(2-methoxyacetyl)amino]-3-N-methyl-1-N-propylbenzene-1,3-dicarboxamide

C18H27N3O6 — CID 175833090

IUPAC3-N-(2,3-dihydroxypropyl)-5-[(2-methoxyacetyl)amino]-3-N-methyl-1-N-propylbenzene-1,3-dicarboxamide
SMILESCCCNC(=O)c1cc(NC(=O)COC)cc(C(=O)N(C)CC(O)CO)c1
InChIInChI=1S/C18H27N3O6/c1-4-5-19-17(25)12-6-13(18(26)21(2)9-15(23)10-22)8-14(7-12)20-16(24)11-27-3/h6-8,15,22-23H,4-5,9-11H2,1-3H3,(H,19,25)(H,20,24)
InChIKeyMYNGCNPNKSFQOJ-UHFFFAOYSA-N
MW381.43 g/mol
LogP-0.16
Rot. Bonds10

About 3-N-(2,3-dihydroxypropyl)-5-[(2-methoxyacetyl)amino]-3-N-methyl-1-N-propylbenzene-1,3-dicarboxamide

3-N-(2,3-dihydroxypropyl)-5-[(2-methoxyacetyl)amino]-3-N-methyl-1-N-propylbenzene-1,3-dicarboxamide (PubChem CID 175833090) has the molecular formula C18H27N3O6 and a molecular weight of 381.43 g/mol. Its IUPAC name is 3-N-(2,3-dihydroxypropyl)-5-[(2-methoxyacetyl)amino]-3-N-methyl-1-N-propylbenzene-1,3-dicarboxamide.

Molecular Properties

Compound Name3-N-(2,3-dihydroxypropyl)-5-[(2-methoxyacetyl)amino]-3-N-methyl-1-N-propylbenzene-1,3-dicarboxamide
PubChem CID175833090
Molecular FormulaC18H27N3O6
Molecular Weight381.43 g/mol
Exact Mass381.19
IUPAC Name3-N-(2,3-dihydroxypropyl)-5-[(2-methoxyacetyl)amino]-3-N-methyl-1-N-propylbenzene-1,3-dicarboxamide
SMILESCCCNC(=O)c1cc(NC(=O)COC)cc(C(=O)N(C)CC(O)CO)c1
InChIInChI=1S/C18H27N3O6/c1-4-5-19-17(25)12-6-13(18(26)21(2)9-15(23)10-22)8-14(7-12)20-16(24)11-27-3/h6-8,15,22-23H,4-5,9-11H2,1-3H3,(H,19,25)(H,20,24)
InChIKeyMYNGCNPNKSFQOJ-UHFFFAOYSA-N
XLogP-0.16
TPSA128.20 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds10
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.43
LogP ≤ 5-0.16
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

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Related Compounds

3,5-dihydroxy-N-(2-hydroxy-3-methoxypropyl)-N-methylbenzamide
CID 103892640
1-N-[(2R)-2,3-dihydroxypropyl]-3-N-[(2S)-2,3-dihydroxypropyl]-2,4,6-triiodo-5-[(2-methoxyacetyl)amino]-3-N-methylbenzene-1,3-dicarboxamide
CID 73416620
5-hydroxy-1-N,3-N-dipropylbenzene-1,3-dicarboxamide
CID 15027317
1-N,3-N-bis(2-hydroxyethyl)-5-N-propylbenzene-1,3,5-tricarboxamide
CID 58035795
N-(2-hydroxy-3-methoxypropyl)-N-methyl-3-(2-methylpropanoylamino)benzamide
CID 131947258
N-(2,3-dihydroxypropyl)-2,4,6-triiodo-3-(2-methoxyacetyl)-N-methylbenzamide
CID 141409901
N-(2-hydroxy-3-methoxypropyl)-N-methyl-2-(propylamino)pyridine-4-carboxamide
CID 62176231
N-(2,3-dihydroxypropyl)-3,4-didodecoxy-N-methylbenzamide
CID 102146420
N,N'-bis[4-(propylcarbamoyl)phenyl]pentanediamide
CID 17219363
3-[[2-(2-methylphenoxy)acetyl]amino]-N-propylbenzamide
CID 17222626
4-[[2-[4-(dimethylcarbamoyl)anilino]acetyl]amino]-N-propylbenzamide
CID 54840845
3-(2,3-dihydroxypropylamino)-4-methyl-N-propylbenzamide
CID 168593224

Frequently Asked Questions

What is the IUPAC name of 3-N-(2,3-dihydroxypropyl)-5-[(2-methoxyacetyl)amino]-3-N-methyl-1-N-propylbenzene-1,3-dicarboxamide?
The IUPAC name of 3-N-(2,3-dihydroxypropyl)-5-[(2-methoxyacetyl)amino]-3-N-methyl-1-N-propylbenzene-1,3-dicarboxamide (CID 175833090) is 3-N-(2,3-dihydroxypropyl)-5-[(2-methoxyacetyl)amino]-3-N-methyl-1-N-propylbenzene-1,3-dicarboxamide.
What is the SMILES notation for 3-N-(2,3-dihydroxypropyl)-5-[(2-methoxyacetyl)amino]-3-N-methyl-1-N-propylbenzene-1,3-dicarboxamide?
The canonical SMILES for 3-N-(2,3-dihydroxypropyl)-5-[(2-methoxyacetyl)amino]-3-N-methyl-1-N-propylbenzene-1,3-dicarboxamide is CCCNC(=O)c1cc(NC(=O)COC)cc(C(=O)N(C)CC(O)CO)c1.
What is the InChIKey of 3-N-(2,3-dihydroxypropyl)-5-[(2-methoxyacetyl)amino]-3-N-methyl-1-N-propylbenzene-1,3-dicarboxamide?
The InChIKey is MYNGCNPNKSFQOJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H27N3O6/c1-4-5-19-17(25)12-6-13(18(26)21(2)9-15(23)10-22)8-14(7-12)20-16(24)11-27-3/h6-8,15,22-23H,4-5,9-11H2,1-3H3,(H,19,25)(H,20,24).
What are the key properties of 3-N-(2,3-dihydroxypropyl)-5-[(2-methoxyacetyl)amino]-3-N-methyl-1-N-propylbenzene-1,3-dicarboxamide?
3-N-(2,3-dihydroxypropyl)-5-[(2-methoxyacetyl)amino]-3-N-methyl-1-N-propylbenzene-1,3-dicarboxamide has a molecular weight of 381.43 g/mol, XLogP of -0.16, 10 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-N-(2,3-dihydroxypropyl)-5-[(2-methoxyacetyl)amino]-3-N-methyl-1-N-propylbenzene-1,3-dicarboxamide is sourced from PubChem (CID 175833090), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).