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

C12H17N3O2 — CID 54880610

IUPACN-[2-[(2-aminoacetyl)amino]ethyl]-4-methylbenzamide
SMILESCc1ccc(C(=O)NCCNC(=O)CN)cc1
InChIInChI=1S/C12H17N3O2/c1-9-2-4-10(5-3-9)12(17)15-7-6-14-11(16)8-13/h2-5H,6-8,13H2,1H3,(H,14,16)(H,15,17)
InChIKeyYAXQUFUKJICCKQ-UHFFFAOYSA-N
MW235.29 g/mol
LogP-0.20
Rot. Bonds5

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

N-[2-[(2-aminoacetyl)amino]ethyl]-4-methylbenzamide (PubChem CID 54880610) has the molecular formula C12H17N3O2 and a molecular weight of 235.29 g/mol. Its IUPAC name is N-[2-[(2-aminoacetyl)amino]ethyl]-4-methylbenzamide.

Molecular Properties

Compound NameN-[2-[(2-aminoacetyl)amino]ethyl]-4-methylbenzamide
PubChem CID54880610
Molecular FormulaC12H17N3O2
Molecular Weight235.29 g/mol
Exact Mass235.13
IUPAC NameN-[2-[(2-aminoacetyl)amino]ethyl]-4-methylbenzamide
SMILESCc1ccc(C(=O)NCCNC(=O)CN)cc1
InChIInChI=1S/C12H17N3O2/c1-9-2-4-10(5-3-9)12(17)15-7-6-14-11(16)8-13/h2-5H,6-8,13H2,1H3,(H,14,16)(H,15,17)
InChIKeyYAXQUFUKJICCKQ-UHFFFAOYSA-N
XLogP-0.20
TPSA84.22 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.29
LogP ≤ 5-0.20
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

4-methyl-N-[2-(3-oxobutanoylamino)ethyl]benzamide
CID 54880636
N-[2-(4-aminobutanoylamino)ethyl]-4-methylbenzamide
CID 54880623
N-(2-acetamidoethyl)-4-methylbenzamide
CID 4186573
4-methyl-N-[2-(methylamino)ethyl]benzamide
CID 59535801
N-[2-[2-(aminomethyl)butanoylamino]ethyl]-4-methylbenzamide
CID 65227665
N-[2-(4-aminopentanoylamino)ethyl]-4-methylbenzamide;hydrochloride
CID 120560978
4-methyl-N-[2-[(2-phenoxyacetyl)amino]ethyl]benzamide
CID 4615382
N-[2-(5-chloropentanoylamino)ethyl]-4-methylbenzamide
CID 60966598
4-methoxy-N-[2-[[2-(4-methylphenoxy)acetyl]amino]ethyl]benzamide
CID 108537866
N-[2-[(4-methoxybenzoyl)amino]ethyl]-4-methylbenzamide
CID 108537787
N-(2-aminooxyethyl)-4-methylbenzamide
CID 39239063
4-methyl-N-[2-[(2-piperidin-1-ylacetyl)amino]ethyl]benzamide
CID 3367291

Frequently Asked Questions

What is the IUPAC name of N-[2-[(2-aminoacetyl)amino]ethyl]-4-methylbenzamide?
The IUPAC name of N-[2-[(2-aminoacetyl)amino]ethyl]-4-methylbenzamide (CID 54880610) is N-[2-[(2-aminoacetyl)amino]ethyl]-4-methylbenzamide.
What is the SMILES notation for N-[2-[(2-aminoacetyl)amino]ethyl]-4-methylbenzamide?
The canonical SMILES for N-[2-[(2-aminoacetyl)amino]ethyl]-4-methylbenzamide is Cc1ccc(C(=O)NCCNC(=O)CN)cc1.
What is the InChIKey of N-[2-[(2-aminoacetyl)amino]ethyl]-4-methylbenzamide?
The InChIKey is YAXQUFUKJICCKQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17N3O2/c1-9-2-4-10(5-3-9)12(17)15-7-6-14-11(16)8-13/h2-5H,6-8,13H2,1H3,(H,14,16)(H,15,17).
What are the key properties of N-[2-[(2-aminoacetyl)amino]ethyl]-4-methylbenzamide?
N-[2-[(2-aminoacetyl)amino]ethyl]-4-methylbenzamide has a molecular weight of 235.29 g/mol, XLogP of -0.20, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[(2-aminoacetyl)amino]ethyl]-4-methylbenzamide is sourced from PubChem (CID 54880610), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).