1-N,4-N-bis(2-aminoethyl)benzene-1,4-dicarboxamide

C12H18N4O2 — CID 58098446

IUPAC1-N,4-N-bis(2-aminoethyl)benzene-1,4-dicarboxamide
SMILESNCCNC(=O)c1ccc(C(=O)NCCN)cc1
InChIInChI=1S/C12H18N4O2/c13-5-7-15-11(17)9-1-2-10(4-3-9)12(18)16-8-6-14/h1-4H,5-8,13-14H2,(H,15,17)(H,16,18)
InChIKeyKYFBWQUXLBKSEE-UHFFFAOYSA-N
MW250.30 g/mol
LogP-0.94
Rot. Bonds6

About 1-N,4-N-bis(2-aminoethyl)benzene-1,4-dicarboxamide

1-N,4-N-bis(2-aminoethyl)benzene-1,4-dicarboxamide (PubChem CID 58098446) has the molecular formula C12H18N4O2 and a molecular weight of 250.30 g/mol. Its IUPAC name is 1-N,4-N-bis(2-aminoethyl)benzene-1,4-dicarboxamide.

Molecular Properties

Compound Name1-N,4-N-bis(2-aminoethyl)benzene-1,4-dicarboxamide
PubChem CID58098446
Molecular FormulaC12H18N4O2
Molecular Weight250.30 g/mol
Exact Mass250.14
IUPAC Name1-N,4-N-bis(2-aminoethyl)benzene-1,4-dicarboxamide
SMILESNCCNC(=O)c1ccc(C(=O)NCCN)cc1
InChIInChI=1S/C12H18N4O2/c13-5-7-15-11(17)9-1-2-10(4-3-9)12(18)16-8-6-14/h1-4H,5-8,13-14H2,(H,15,17)(H,16,18)
InChIKeyKYFBWQUXLBKSEE-UHFFFAOYSA-N
XLogP-0.94
TPSA110.24 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.30
LogP ≤ 5-0.94
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

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Related Compounds

1-N,3-N,5-N-tris(2-aminoethyl)benzene-1,3,5-tricarboxamide
CID 23569595
N-(2-aminoethyl)benzamide;ethane
CID 143976252
1-N,3-N-bis(2-aminoethyl)benzene-1,3-dicarboxamide
CID 54754655
N-(2-aminoethyl)-4-propylbenzamide;hydrochloride
CID 119384783
acetic acid;N-(2-aminoethyl)-4-(hydroxymethyl)benzamide
CID 67918850
N-(2-aminoethyl)-4-propan-2-yloxybenzamide
CID 82335676
4-N-(3-aminopropyl)benzene-1,4-dicarboxamide
CID 11053215
N-(2-aminoethyl)-4-[(propanoylamino)methyl]benzamide
CID 39162903
N-(2-aminoethyl)-4-phenylmethoxybenzamide
CID 13064036
N-(2-aminoethyl)-4-methyl-3-(3-methylbut-2-en-2-yl)benzamide
CID 156841315
N-(2-aminoethyl)-3,5-dibromobenzamide
CID 107971787
N-(5-aminopentyl)-4-hydroxybenzamide
CID 11459592

Frequently Asked Questions

What is the IUPAC name of 1-N,4-N-bis(2-aminoethyl)benzene-1,4-dicarboxamide?
The IUPAC name of 1-N,4-N-bis(2-aminoethyl)benzene-1,4-dicarboxamide (CID 58098446) is 1-N,4-N-bis(2-aminoethyl)benzene-1,4-dicarboxamide.
What is the SMILES notation for 1-N,4-N-bis(2-aminoethyl)benzene-1,4-dicarboxamide?
The canonical SMILES for 1-N,4-N-bis(2-aminoethyl)benzene-1,4-dicarboxamide is NCCNC(=O)c1ccc(C(=O)NCCN)cc1.
What is the InChIKey of 1-N,4-N-bis(2-aminoethyl)benzene-1,4-dicarboxamide?
The InChIKey is KYFBWQUXLBKSEE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N4O2/c13-5-7-15-11(17)9-1-2-10(4-3-9)12(18)16-8-6-14/h1-4H,5-8,13-14H2,(H,15,17)(H,16,18).
What are the key properties of 1-N,4-N-bis(2-aminoethyl)benzene-1,4-dicarboxamide?
1-N,4-N-bis(2-aminoethyl)benzene-1,4-dicarboxamide has a molecular weight of 250.30 g/mol, XLogP of -0.94, 6 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N,4-N-bis(2-aminoethyl)benzene-1,4-dicarboxamide is sourced from PubChem (CID 58098446), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).