3,4-diamino-N,N-bis(2-hydroxyethyl)benzamide

C11H17N3O3 — CID 94810814

IUPAC3,4-diamino-N,N-bis(2-hydroxyethyl)benzamide
SMILESNc1ccc(C(=O)N(CCO)CCO)cc1N
InChIInChI=1S/C11H17N3O3/c12-9-2-1-8(7-10(9)13)11(17)14(3-5-15)4-6-16/h1-2,7,15-16H,3-6,12-13H2
InChIKeyQDWFDVQWSSAXGR-UHFFFAOYSA-N
MW239.28 g/mol
LogP-0.72
Rot. Bonds5

About 3,4-diamino-N,N-bis(2-hydroxyethyl)benzamide

3,4-diamino-N,N-bis(2-hydroxyethyl)benzamide (PubChem CID 94810814) has the molecular formula C11H17N3O3 and a molecular weight of 239.28 g/mol. Its IUPAC name is 3,4-diamino-N,N-bis(2-hydroxyethyl)benzamide.

Molecular Properties

Compound Name3,4-diamino-N,N-bis(2-hydroxyethyl)benzamide
PubChem CID94810814
Molecular FormulaC11H17N3O3
Molecular Weight239.28 g/mol
Exact Mass239.13
IUPAC Name3,4-diamino-N,N-bis(2-hydroxyethyl)benzamide
SMILESNc1ccc(C(=O)N(CCO)CCO)cc1N
InChIInChI=1S/C11H17N3O3/c12-9-2-1-8(7-10(9)13)11(17)14(3-5-15)4-6-16/h1-2,7,15-16H,3-6,12-13H2
InChIKeyQDWFDVQWSSAXGR-UHFFFAOYSA-N
XLogP-0.72
TPSA112.81 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.28
LogP ≤ 5-0.72
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

4-amino-N,N-bis(2-hydroxyethyl)-3-(trifluoromethyl)benzamide
CID 62160495
4-amino-N-(2-hydroxyethyl)-N-propylbenzamide
CID 60946109
4-bromo-3-hydroxy-N,N-bis(2-hydroxyethyl)benzamide
CID 103957673
4-amino-3-hydroxy-N,N-dipropylbenzamide
CID 22411148
N,N-bis(2-hydroxyethyl)-3-methylbenzamide
CID 60653227
4-amino-N-(2-hydroxyethyl)-N-(2,2,2-trifluoroethyl)benzamide
CID 54904763
N,N-bis(2-hydroxyethyl)-4-(sulfanylmethyl)benzamide
CID 143150014
4-amino-N,N-dibutyl-3-methylbenzamide
CID 28982328
5-amino-N,N-bis(2-hydroxyethyl)-2-methylbenzamide
CID 61289864
4-amino-3-hydroxy-N,N-bis(2-methoxyethyl)benzamide
CID 107074165
3-amino-4-methyl-N,N-bis(3-methylbutyl)benzamide
CID 60939470
4-amino-3-methoxy-N,N-dipropylbenzamide
CID 104782274

Frequently Asked Questions

What is the IUPAC name of 3,4-diamino-N,N-bis(2-hydroxyethyl)benzamide?
The IUPAC name of 3,4-diamino-N,N-bis(2-hydroxyethyl)benzamide (CID 94810814) is 3,4-diamino-N,N-bis(2-hydroxyethyl)benzamide.
What is the SMILES notation for 3,4-diamino-N,N-bis(2-hydroxyethyl)benzamide?
The canonical SMILES for 3,4-diamino-N,N-bis(2-hydroxyethyl)benzamide is Nc1ccc(C(=O)N(CCO)CCO)cc1N.
What is the InChIKey of 3,4-diamino-N,N-bis(2-hydroxyethyl)benzamide?
The InChIKey is QDWFDVQWSSAXGR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17N3O3/c12-9-2-1-8(7-10(9)13)11(17)14(3-5-15)4-6-16/h1-2,7,15-16H,3-6,12-13H2.
What are the key properties of 3,4-diamino-N,N-bis(2-hydroxyethyl)benzamide?
3,4-diamino-N,N-bis(2-hydroxyethyl)benzamide has a molecular weight of 239.28 g/mol, XLogP of -0.72, 5 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4-diamino-N,N-bis(2-hydroxyethyl)benzamide is sourced from PubChem (CID 94810814), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).