2-(diaminoamino)-N-[2-(methylamino)ethyl]benzamide

C10H17N5O — CID 121427028

IUPAC2-(diaminoamino)-N-[2-(methylamino)ethyl]benzamide
SMILESCNCCNC(=O)c1ccccc1N(N)N
InChIInChI=1S/C10H17N5O/c1-13-6-7-14-10(16)8-4-2-3-5-9(8)15(11)12/h2-5,13H,6-7,11-12H2,1H3,(H,14,16)
InChIKeyVJIYRVAVOVYVPV-UHFFFAOYSA-N
MW223.28 g/mol
LogP-0.81
Rot. Bonds5

About 2-(diaminoamino)-N-[2-(methylamino)ethyl]benzamide

2-(diaminoamino)-N-[2-(methylamino)ethyl]benzamide (PubChem CID 121427028) has the molecular formula C10H17N5O and a molecular weight of 223.28 g/mol. Its IUPAC name is 2-(diaminoamino)-N-[2-(methylamino)ethyl]benzamide.

Molecular Properties

Compound Name2-(diaminoamino)-N-[2-(methylamino)ethyl]benzamide
PubChem CID121427028
Molecular FormulaC10H17N5O
Molecular Weight223.28 g/mol
Exact Mass223.14
IUPAC Name2-(diaminoamino)-N-[2-(methylamino)ethyl]benzamide
SMILESCNCCNC(=O)c1ccccc1N(N)N
InChIInChI=1S/C10H17N5O/c1-13-6-7-14-10(16)8-4-2-3-5-9(8)15(11)12/h2-5,13H,6-7,11-12H2,1H3,(H,14,16)
InChIKeyVJIYRVAVOVYVPV-UHFFFAOYSA-N
XLogP-0.81
TPSA96.41 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.28
LogP ≤ 5-0.81
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

2,3-difluoro-N-[2-(methylamino)ethyl]benzamide;hydrochloride
CID 119504020
N-[2-[(4-methoxybenzoyl)amino]ethyl]-2-(N-methylanilino)benzamide
CID 55880097
5-bromo-N-methyl-N-[2-[3-(methylamino)propylcarbamoyl]phenyl]furan-2-carboxamide;hydrochloride
CID 119432173
2-(dimethylamino)-N-[2-(2-hydroxyethoxy)ethyl]benzamide
CID 110463514
1-N,2-N-bis(2-methoxyethyl)benzene-1,2-dicarboxamide
CID 4574574
2-acetyl-N-[3-(methylamino)propyl]benzamide;hydrochloride
CID 119429539
2-fluoro-N-[2-[[2-(methylamino)acetyl]amino]ethyl]benzamide
CID 119742065
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
2-[2-[(2-carboxylatobenzoyl)amino]ethylcarbamoyl]benzoate
CID 40932229
2-[benzoylcarbamothioyl(methyl)amino]-N-(2-phenylethyl)benzamide
CID 4930713
2,5-dihydroxy-N-[2-(methylamino)ethyl]benzamide
CID 107725066
2,5-dimethyl-N-[2-(methylamino)ethyl]benzamide;hydrochloride
CID 119502208

Frequently Asked Questions

What is the IUPAC name of 2-(diaminoamino)-N-[2-(methylamino)ethyl]benzamide?
The IUPAC name of 2-(diaminoamino)-N-[2-(methylamino)ethyl]benzamide (CID 121427028) is 2-(diaminoamino)-N-[2-(methylamino)ethyl]benzamide.
What is the SMILES notation for 2-(diaminoamino)-N-[2-(methylamino)ethyl]benzamide?
The canonical SMILES for 2-(diaminoamino)-N-[2-(methylamino)ethyl]benzamide is CNCCNC(=O)c1ccccc1N(N)N.
What is the InChIKey of 2-(diaminoamino)-N-[2-(methylamino)ethyl]benzamide?
The InChIKey is VJIYRVAVOVYVPV-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17N5O/c1-13-6-7-14-10(16)8-4-2-3-5-9(8)15(11)12/h2-5,13H,6-7,11-12H2,1H3,(H,14,16).
What are the key properties of 2-(diaminoamino)-N-[2-(methylamino)ethyl]benzamide?
2-(diaminoamino)-N-[2-(methylamino)ethyl]benzamide has a molecular weight of 223.28 g/mol, XLogP of -0.81, 5 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(diaminoamino)-N-[2-(methylamino)ethyl]benzamide is sourced from PubChem (CID 121427028), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).