4-N-(2,2-diaminoethyl)benzene-1,4-dicarboxamide

C10H14N4O2 — CID 172799117

IUPAC4-N-(2,2-diaminoethyl)benzene-1,4-dicarboxamide
SMILESNC(=O)c1ccc(C(=O)NCC(N)N)cc1
InChIInChI=1S/C10H14N4O2/c11-8(12)5-14-10(16)7-3-1-6(2-4-7)9(13)15/h1-4,8H,5,11-12H2,(H2,13,15)(H,14,16)
InChIKeyQPPSLRZHMMYYQI-UHFFFAOYSA-N
MW222.25 g/mol
LogP-1.24
Rot. Bonds4

About 4-N-(2,2-diaminoethyl)benzene-1,4-dicarboxamide

4-N-(2,2-diaminoethyl)benzene-1,4-dicarboxamide (PubChem CID 172799117) has the molecular formula C10H14N4O2 and a molecular weight of 222.25 g/mol. Its IUPAC name is 4-N-(2,2-diaminoethyl)benzene-1,4-dicarboxamide.

Molecular Properties

Compound Name4-N-(2,2-diaminoethyl)benzene-1,4-dicarboxamide
PubChem CID172799117
Molecular FormulaC10H14N4O2
Molecular Weight222.25 g/mol
Exact Mass222.11
IUPAC Name4-N-(2,2-diaminoethyl)benzene-1,4-dicarboxamide
SMILESNC(=O)c1ccc(C(=O)NCC(N)N)cc1
InChIInChI=1S/C10H14N4O2/c11-8(12)5-14-10(16)7-3-1-6(2-4-7)9(13)15/h1-4,8H,5,11-12H2,(H2,13,15)(H,14,16)
InChIKeyQPPSLRZHMMYYQI-UHFFFAOYSA-N
XLogP-1.24
TPSA124.23 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.25
LogP ≤ 5-1.24
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

4-N-[(2S)-2-hydroxypropyl]benzene-1,4-dicarboxamide
CID 83059637
4-N-(2,2-diphenylethyl)benzene-1,4-dicarboxamide
CID 30870123
4-N-[2-amino-2-(4-propan-2-ylphenyl)ethyl]benzene-1,4-dicarboxamide
CID 119526891
4-N-(3-aminopropyl)benzene-1,4-dicarboxamide
CID 11053215
4-N-(2-chloroprop-2-enyl)benzene-1,4-dicarboxamide
CID 115636455
4-[(4-carbamoylbenzoyl)amino]-2-hydroxybutanoic acid
CID 107832721
4-amino-N-(2-aminopropyl)benzamide
CID 130891998
4-N-(3-hydroxypentyl)benzene-1,4-dicarboxamide
CID 115703395
4-N-[(1-bromocyclopropyl)methyl]benzene-1,4-dicarboxamide
CID 126828005
4-carbamothioyl-N-(2,2-difluoroethyl)benzamide
CID 79140293
4-N-(2-anilinoethyl)benzene-1,4-dicarboxamide
CID 154348827
4-N-[2-(ethylamino)ethyl]benzene-1,4-dicarboxamide;hydrochloride
CID 119508553

Frequently Asked Questions

What is the IUPAC name of 4-N-(2,2-diaminoethyl)benzene-1,4-dicarboxamide?
The IUPAC name of 4-N-(2,2-diaminoethyl)benzene-1,4-dicarboxamide (CID 172799117) is 4-N-(2,2-diaminoethyl)benzene-1,4-dicarboxamide.
What is the SMILES notation for 4-N-(2,2-diaminoethyl)benzene-1,4-dicarboxamide?
The canonical SMILES for 4-N-(2,2-diaminoethyl)benzene-1,4-dicarboxamide is NC(=O)c1ccc(C(=O)NCC(N)N)cc1.
What is the InChIKey of 4-N-(2,2-diaminoethyl)benzene-1,4-dicarboxamide?
The InChIKey is QPPSLRZHMMYYQI-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14N4O2/c11-8(12)5-14-10(16)7-3-1-6(2-4-7)9(13)15/h1-4,8H,5,11-12H2,(H2,13,15)(H,14,16).
What are the key properties of 4-N-(2,2-diaminoethyl)benzene-1,4-dicarboxamide?
4-N-(2,2-diaminoethyl)benzene-1,4-dicarboxamide has a molecular weight of 222.25 g/mol, XLogP of -1.24, 4 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-(2,2-diaminoethyl)benzene-1,4-dicarboxamide is sourced from PubChem (CID 172799117), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).