1-N,3-N-bis(2-hydroxyethyl)-5-N-propylbenzene-1,3,5-tricarboxamide

C16H23N3O5 — CID 58035795

IUPAC1-N,3-N-bis(2-hydroxyethyl)-5-N-propylbenzene-1,3,5-tricarboxamide
SMILESCCCNC(=O)c1cc(C(=O)NCCO)cc(C(=O)NCCO)c1
InChIInChI=1S/C16H23N3O5/c1-2-3-17-14(22)11-8-12(15(23)18-4-6-20)10-13(9-11)16(24)19-5-7-21/h8-10,20-21H,2-7H2,1H3,(H,17,22)(H,18,23)(H,19,24)
InChIKeyIYUSVRAHOGTAGD-UHFFFAOYSA-N
MW337.38 g/mol
LogP-0.73
Rot. Bonds9

About 1-N,3-N-bis(2-hydroxyethyl)-5-N-propylbenzene-1,3,5-tricarboxamide

1-N,3-N-bis(2-hydroxyethyl)-5-N-propylbenzene-1,3,5-tricarboxamide (PubChem CID 58035795) has the molecular formula C16H23N3O5 and a molecular weight of 337.38 g/mol. Its IUPAC name is 1-N,3-N-bis(2-hydroxyethyl)-5-N-propylbenzene-1,3,5-tricarboxamide.

Molecular Properties

Compound Name1-N,3-N-bis(2-hydroxyethyl)-5-N-propylbenzene-1,3,5-tricarboxamide
PubChem CID58035795
Molecular FormulaC16H23N3O5
Molecular Weight337.38 g/mol
Exact Mass337.16
IUPAC Name1-N,3-N-bis(2-hydroxyethyl)-5-N-propylbenzene-1,3,5-tricarboxamide
SMILESCCCNC(=O)c1cc(C(=O)NCCO)cc(C(=O)NCCO)c1
InChIInChI=1S/C16H23N3O5/c1-2-3-17-14(22)11-8-12(15(23)18-4-6-20)10-13(9-11)16(24)19-5-7-21/h8-10,20-21H,2-7H2,1H3,(H,17,22)(H,18,23)(H,19,24)
InChIKeyIYUSVRAHOGTAGD-UHFFFAOYSA-N
XLogP-0.73
TPSA127.76 Ų
H-Bond Donors5
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.38
LogP ≤ 5-0.73
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 105

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Related Compounds

5-hydroxy-1-N,3-N-dipropylbenzene-1,3-dicarboxamide
CID 15027317
3,5-dichloro-N-propylbenzamide
CID 2767298
3,5-diamino-N-propylbenzamide
CID 20701636
3-N,5-N-dipropylpyridine-3,5-dicarboxamide
CID 47231705
3-(2-hydroxyethylsulfamoyl)-5-(propylcarbamoyl)benzoic acid
CID 69320712
5-acetyl-3-N-propylbenzene-1,3-dicarboxamide
CID 126540698
3-amino-5-ethoxy-N-(2-hydroxyethyl)benzamide
CID 81090063
1-N-methyl-3-N-propylbenzene-1,3-dicarboxamide
CID 69320035
3-hydroxy-N-(2-hydroxyethyl)-4-methylbenzamide
CID 43416195
1-N-ethyl-5-nitro-3-N-propylbenzene-1,3-dicarboxamide
CID 90429043
3-N-(2-aminoethyl)-1-N-propylbenzene-1,3-dicarboxamide
CID 119382339
3-ethoxy-5-hydroxy-N-(2-hydroxyethyl)benzamide
CID 153269388

Frequently Asked Questions

What is the IUPAC name of 1-N,3-N-bis(2-hydroxyethyl)-5-N-propylbenzene-1,3,5-tricarboxamide?
The IUPAC name of 1-N,3-N-bis(2-hydroxyethyl)-5-N-propylbenzene-1,3,5-tricarboxamide (CID 58035795) is 1-N,3-N-bis(2-hydroxyethyl)-5-N-propylbenzene-1,3,5-tricarboxamide.
What is the SMILES notation for 1-N,3-N-bis(2-hydroxyethyl)-5-N-propylbenzene-1,3,5-tricarboxamide?
The canonical SMILES for 1-N,3-N-bis(2-hydroxyethyl)-5-N-propylbenzene-1,3,5-tricarboxamide is CCCNC(=O)c1cc(C(=O)NCCO)cc(C(=O)NCCO)c1.
What is the InChIKey of 1-N,3-N-bis(2-hydroxyethyl)-5-N-propylbenzene-1,3,5-tricarboxamide?
The InChIKey is IYUSVRAHOGTAGD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23N3O5/c1-2-3-17-14(22)11-8-12(15(23)18-4-6-20)10-13(9-11)16(24)19-5-7-21/h8-10,20-21H,2-7H2,1H3,(H,17,22)(H,18,23)(H,19,24).
What are the key properties of 1-N,3-N-bis(2-hydroxyethyl)-5-N-propylbenzene-1,3,5-tricarboxamide?
1-N,3-N-bis(2-hydroxyethyl)-5-N-propylbenzene-1,3,5-tricarboxamide has a molecular weight of 337.38 g/mol, XLogP of -0.73, 9 rotatable bonds, 5 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N,3-N-bis(2-hydroxyethyl)-5-N-propylbenzene-1,3,5-tricarboxamide is sourced from PubChem (CID 58035795), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).