2-(2-aminoethylamino)-5-methoxy-N,N-dimethylbenzamide

C12H19N3O2 — CID 71038909

IUPAC2-(2-aminoethylamino)-5-methoxy-N,N-dimethylbenzamide
SMILESCOc1ccc(NCCN)c(C(=O)N(C)C)c1
InChIInChI=1S/C12H19N3O2/c1-15(2)12(16)10-8-9(17-3)4-5-11(10)14-7-6-13/h4-5,8,14H,6-7,13H2,1-3H3
InChIKeyUWMKDQIUHHOBLC-UHFFFAOYSA-N
MW237.30 g/mol
LogP0.77
Rot. Bonds5

About 2-(2-aminoethylamino)-5-methoxy-N,N-dimethylbenzamide

2-(2-aminoethylamino)-5-methoxy-N,N-dimethylbenzamide (PubChem CID 71038909) has the molecular formula C12H19N3O2 and a molecular weight of 237.30 g/mol. Its IUPAC name is 2-(2-aminoethylamino)-5-methoxy-N,N-dimethylbenzamide.

Molecular Properties

Compound Name2-(2-aminoethylamino)-5-methoxy-N,N-dimethylbenzamide
PubChem CID71038909
Molecular FormulaC12H19N3O2
Molecular Weight237.30 g/mol
Exact Mass237.15
IUPAC Name2-(2-aminoethylamino)-5-methoxy-N,N-dimethylbenzamide
SMILESCOc1ccc(NCCN)c(C(=O)N(C)C)c1
InChIInChI=1S/C12H19N3O2/c1-15(2)12(16)10-8-9(17-3)4-5-11(10)14-7-6-13/h4-5,8,14H,6-7,13H2,1-3H3
InChIKeyUWMKDQIUHHOBLC-UHFFFAOYSA-N
XLogP0.77
TPSA67.59 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.30
LogP ≤ 50.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_C(246)', 'substructure': 'N/A'}

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Related Compounds

2-(3-aminopropoxy)-5-methoxy-N,N-dimethylbenzamide
CID 118770535
5-methoxy-2-(propylamino)benzoic acid
CID 54594237
N'-(2,4-dimethoxyphenyl)butane-1,4-diamine
CID 82114957
ethane;2-hydroxy-4-methoxy-N,N-dimethylbenzamide
CID 144990982
N-(2-aminoethyl)-4-methoxy-2-methylbenzamide;hydrochloride
CID 119384390
N-(2,4-dimethoxyphenyl)-N',N'-dimethylpropane-1,3-diamine
CID 82084110
S-methyl 2-(ethylamino)-5-methoxybenzenecarbothioate
CID 66490836
5-methoxy-2-(methylamino)benzamide
CID 66991664
2-(2-amino-5-methoxyanilino)ethylurea
CID 83116899
2-[2-[ethyl(methyl)amino]ethylamino]-4-methoxybenzoic acid
CID 81304682
3-amino-1-(2,5-dimethoxyphenyl)propan-1-one
CID 10149089
ethyl 3-(2,4-dimethoxyanilino)propanoate
CID 23052898

Frequently Asked Questions

What is the IUPAC name of 2-(2-aminoethylamino)-5-methoxy-N,N-dimethylbenzamide?
The IUPAC name of 2-(2-aminoethylamino)-5-methoxy-N,N-dimethylbenzamide (CID 71038909) is 2-(2-aminoethylamino)-5-methoxy-N,N-dimethylbenzamide.
What is the SMILES notation for 2-(2-aminoethylamino)-5-methoxy-N,N-dimethylbenzamide?
The canonical SMILES for 2-(2-aminoethylamino)-5-methoxy-N,N-dimethylbenzamide is COc1ccc(NCCN)c(C(=O)N(C)C)c1.
What is the InChIKey of 2-(2-aminoethylamino)-5-methoxy-N,N-dimethylbenzamide?
The InChIKey is UWMKDQIUHHOBLC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N3O2/c1-15(2)12(16)10-8-9(17-3)4-5-11(10)14-7-6-13/h4-5,8,14H,6-7,13H2,1-3H3.
What are the key properties of 2-(2-aminoethylamino)-5-methoxy-N,N-dimethylbenzamide?
2-(2-aminoethylamino)-5-methoxy-N,N-dimethylbenzamide has a molecular weight of 237.30 g/mol, XLogP of 0.77, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-aminoethylamino)-5-methoxy-N,N-dimethylbenzamide is sourced from PubChem (CID 71038909), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).