4-amino-N-[2-(2-aminoethoxy)ethyl]-2-methylbenzamide

C12H19N3O2 — CID 167303302

IUPAC4-amino-N-[2-(2-aminoethoxy)ethyl]-2-methylbenzamide
SMILESCc1cc(N)ccc1C(=O)NCCOCCN
InChIInChI=1S/C12H19N3O2/c1-9-8-10(14)2-3-11(9)12(16)15-5-7-17-6-4-13/h2-3,8H,4-7,13-14H2,1H3,(H,15,16)
InChIKeySHYNJAOEEBYQKO-UHFFFAOYSA-N
MW237.30 g/mol
LogP0.28
Rot. Bonds6

About 4-amino-N-[2-(2-aminoethoxy)ethyl]-2-methylbenzamide

4-amino-N-[2-(2-aminoethoxy)ethyl]-2-methylbenzamide (PubChem CID 167303302) has the molecular formula C12H19N3O2 and a molecular weight of 237.30 g/mol. Its IUPAC name is 4-amino-N-[2-(2-aminoethoxy)ethyl]-2-methylbenzamide.

Molecular Properties

Compound Name4-amino-N-[2-(2-aminoethoxy)ethyl]-2-methylbenzamide
PubChem CID167303302
Molecular FormulaC12H19N3O2
Molecular Weight237.30 g/mol
Exact Mass237.15
IUPAC Name4-amino-N-[2-(2-aminoethoxy)ethyl]-2-methylbenzamide
SMILESCc1cc(N)ccc1C(=O)NCCOCCN
InChIInChI=1S/C12H19N3O2/c1-9-8-10(14)2-3-11(9)12(16)15-5-7-17-6-4-13/h2-3,8H,4-7,13-14H2,1H3,(H,15,16)
InChIKeySHYNJAOEEBYQKO-UHFFFAOYSA-N
XLogP0.28
TPSA90.37 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.30
LogP ≤ 50.28
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-[2-(2-aminoethoxy)ethyl]-2,5-dimethylbenzamide
CID 63754835
4-amino-N-[2-(carbamoylamino)ethyl]-2-methylbenzamide
CID 83108050
5-amino-N-(2-ethoxyethyl)-2-methylbenzamide;hydrochloride
CID 120620370
5-amino-N-[2-(2-amino-2-oxoethoxy)ethyl]-2-methylbenzamide
CID 106233435
5-amino-2-methyl-N-[2-(2,2,2-trifluoroethoxy)ethyl]benzamide;hydrochloride
CID 120620047
4-amino-N-(5-hydroxypentyl)-2-methylbenzamide
CID 107316298
N-[2-(2-aminoethoxy)ethyl]-2,3-dihydroxybenzamide
CID 114345378
N-[2-[2-(2-aminoethoxy)ethoxy]ethyl]-4-methylbenzamide;ethane
CID 143583879
2-[2-[(4-amino-2-ethylbenzoyl)amino]ethoxy]ethyl carbamate
CID 175145331
N-[2-(2-aminoethoxy)ethyl]-2-(2,5-dimethylphenyl)acetamide
CID 63756094
2-[2-[(2,4-dimethylbenzoyl)amino]ethoxy]acetic acid
CID 79456990
4-amino-N-(2-methoxypropyl)-2-methylbenzamide
CID 102694270

Frequently Asked Questions

What is the IUPAC name of 4-amino-N-[2-(2-aminoethoxy)ethyl]-2-methylbenzamide?
The IUPAC name of 4-amino-N-[2-(2-aminoethoxy)ethyl]-2-methylbenzamide (CID 167303302) is 4-amino-N-[2-(2-aminoethoxy)ethyl]-2-methylbenzamide.
What is the SMILES notation for 4-amino-N-[2-(2-aminoethoxy)ethyl]-2-methylbenzamide?
The canonical SMILES for 4-amino-N-[2-(2-aminoethoxy)ethyl]-2-methylbenzamide is Cc1cc(N)ccc1C(=O)NCCOCCN.
What is the InChIKey of 4-amino-N-[2-(2-aminoethoxy)ethyl]-2-methylbenzamide?
The InChIKey is SHYNJAOEEBYQKO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N3O2/c1-9-8-10(14)2-3-11(9)12(16)15-5-7-17-6-4-13/h2-3,8H,4-7,13-14H2,1H3,(H,15,16).
What are the key properties of 4-amino-N-[2-(2-aminoethoxy)ethyl]-2-methylbenzamide?
4-amino-N-[2-(2-aminoethoxy)ethyl]-2-methylbenzamide has a molecular weight of 237.30 g/mol, XLogP of 0.28, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-N-[2-(2-aminoethoxy)ethyl]-2-methylbenzamide is sourced from PubChem (CID 167303302), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).