1-N,3-N-bis(2-aminoethyl)-2-hydroxybenzene-1,3-dicarboxamide

C12H18N4O3 — CID 12964331

IUPAC1-N,3-N-bis(2-aminoethyl)-2-hydroxybenzene-1,3-dicarboxamide
SMILESNCCNC(=O)c1cccc(C(=O)NCCN)c1O
InChIInChI=1S/C12H18N4O3/c13-4-6-15-11(18)8-2-1-3-9(10(8)17)12(19)16-7-5-14/h1-3,17H,4-7,13-14H2,(H,15,18)(H,16,19)
InChIKeyYQFOOUHVXMSTQA-UHFFFAOYSA-N
MW266.30 g/mol
LogP-1.23
Rot. Bonds6

About 1-N,3-N-bis(2-aminoethyl)-2-hydroxybenzene-1,3-dicarboxamide

1-N,3-N-bis(2-aminoethyl)-2-hydroxybenzene-1,3-dicarboxamide (PubChem CID 12964331) has the molecular formula C12H18N4O3 and a molecular weight of 266.30 g/mol. Its IUPAC name is 1-N,3-N-bis(2-aminoethyl)-2-hydroxybenzene-1,3-dicarboxamide.

Molecular Properties

Compound Name1-N,3-N-bis(2-aminoethyl)-2-hydroxybenzene-1,3-dicarboxamide
PubChem CID12964331
Molecular FormulaC12H18N4O3
Molecular Weight266.30 g/mol
Exact Mass266.14
IUPAC Name1-N,3-N-bis(2-aminoethyl)-2-hydroxybenzene-1,3-dicarboxamide
SMILESNCCNC(=O)c1cccc(C(=O)NCCN)c1O
InChIInChI=1S/C12H18N4O3/c13-4-6-15-11(18)8-2-1-3-9(10(8)17)12(19)16-7-5-14/h1-3,17H,4-7,13-14H2,(H,15,18)(H,16,19)
InChIKeyYQFOOUHVXMSTQA-UHFFFAOYSA-N
XLogP-1.23
TPSA130.47 Ų
H-Bond Donors5
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.30
LogP ≤ 5-1.23
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 105

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Related Compounds

N-(2-aminoethyl)-1-benzothiophene-4-carboxamide
CID 53397320
N-(2-fluoroethyl)-2,3-dihydroxybenzamide
CID 130478170
N-[2-(2-aminoethoxy)ethyl]-2,3-dihydroxybenzamide
CID 114345378
N-[3-(3-aminopropylamino)propyl]-2,3-dihydroxybenzamide
CID 45479385
1-N,3-N-bis(2-aminoethyl)benzene-1,3-dicarboxamide
CID 54754655
1-N,2-N-bis(4-aminobutyl)benzene-1,2-dicarboxamide
CID 171064318
N-[3-(2-aminoethoxy)propyl]-2,3-dihydroxybenzamide
CID 114171525
N-(2-aminoethyl)-4-chloro-1-hydroxynaphthalene-2-carboxamide
CID 134097117
2-hydroxy-3-N-[5-[[2-hydroxy-3-(methylcarbamoyl)benzoyl]amino]pentyl]-1-N-methylbenzene-1,3-dicarboxamide
CID 102039466
N-(2-aminoethyl)-2-sulfanylidene-1H-pyridine-3-carboxamide
CID 130634637
1-N,4-N-bis(2-aminoethyl)benzene-1,4-dicarboxamide
CID 58098446
3-N-[2-[2-aminoethyl-[2-[2-[[2-hydroxy-3-[2-(methylamino)ethylcarbamoyl]benzoyl]amino]ethyl-[2-[[2-hydroxy-3-(propylcarbamoyl)benzoyl]amino]ethyl]amino]ethyl]amino]ethyl]-2-hydroxy-1-N-propylbenzene-1,3-dicarboxamide
CID 139504582

Frequently Asked Questions

What is the IUPAC name of 1-N,3-N-bis(2-aminoethyl)-2-hydroxybenzene-1,3-dicarboxamide?
The IUPAC name of 1-N,3-N-bis(2-aminoethyl)-2-hydroxybenzene-1,3-dicarboxamide (CID 12964331) is 1-N,3-N-bis(2-aminoethyl)-2-hydroxybenzene-1,3-dicarboxamide.
What is the SMILES notation for 1-N,3-N-bis(2-aminoethyl)-2-hydroxybenzene-1,3-dicarboxamide?
The canonical SMILES for 1-N,3-N-bis(2-aminoethyl)-2-hydroxybenzene-1,3-dicarboxamide is NCCNC(=O)c1cccc(C(=O)NCCN)c1O.
What is the InChIKey of 1-N,3-N-bis(2-aminoethyl)-2-hydroxybenzene-1,3-dicarboxamide?
The InChIKey is YQFOOUHVXMSTQA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N4O3/c13-4-6-15-11(18)8-2-1-3-9(10(8)17)12(19)16-7-5-14/h1-3,17H,4-7,13-14H2,(H,15,18)(H,16,19).
What are the key properties of 1-N,3-N-bis(2-aminoethyl)-2-hydroxybenzene-1,3-dicarboxamide?
1-N,3-N-bis(2-aminoethyl)-2-hydroxybenzene-1,3-dicarboxamide has a molecular weight of 266.30 g/mol, XLogP of -1.23, 6 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-aminoethyl)-2-hydroxybenzene-1,3-dicarboxamide is sourced from PubChem (CID 12964331), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).