N-[2-(2-aminoethoxy)ethyl]-N,3-dimethylbenzamide

C13H20N2O2 — CID 114243695

IUPACN-[2-(2-aminoethoxy)ethyl]-N,3-dimethylbenzamide
SMILESCc1cccc(C(=O)N(C)CCOCCN)c1
InChIInChI=1S/C13H20N2O2/c1-11-4-3-5-12(10-11)13(16)15(2)7-9-17-8-6-14/h3-5,10H,6-9,14H2,1-2H3
InChIKeyQRNWULYQPJAILM-UHFFFAOYSA-N
MW236.31 g/mol
LogP1.04
Rot. Bonds6

About N-[2-(2-aminoethoxy)ethyl]-N,3-dimethylbenzamide

N-[2-(2-aminoethoxy)ethyl]-N,3-dimethylbenzamide (PubChem CID 114243695) has the molecular formula C13H20N2O2 and a molecular weight of 236.31 g/mol. Its IUPAC name is N-[2-(2-aminoethoxy)ethyl]-N,3-dimethylbenzamide.

Molecular Properties

Compound NameN-[2-(2-aminoethoxy)ethyl]-N,3-dimethylbenzamide
PubChem CID114243695
Molecular FormulaC13H20N2O2
Molecular Weight236.31 g/mol
Exact Mass236.15
IUPAC NameN-[2-(2-aminoethoxy)ethyl]-N,3-dimethylbenzamide
SMILESCc1cccc(C(=O)N(C)CCOCCN)c1
InChIInChI=1S/C13H20N2O2/c1-11-4-3-5-12(10-11)13(16)15(2)7-9-17-8-6-14/h3-5,10H,6-9,14H2,1-2H3
InChIKeyQRNWULYQPJAILM-UHFFFAOYSA-N
XLogP1.04
TPSA55.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.31
LogP ≤ 51.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-(2-amino-3-methoxypropyl)-N,3-dimethylbenzamide
CID 63753658
N-[2-(2-chloroethoxy)ethyl]-3-cyano-N-methylbenzamide
CID 114242732
octyl 2-[methyl-(3-methylbenzoyl)amino]acetate
CID 91710670
undecyl 2-[methyl-(3-methylbenzoyl)amino]acetate
CID 91710673
decyl 2-[methyl-(3-methylbenzoyl)amino]acetate
CID 91710672
N-[[2-(aminomethyl)phenyl]methyl]-N,3-dimethylbenzamide
CID 60923258
(E)-3-[3-[2-ethoxyethyl(methyl)carbamoyl]phenyl]prop-2-enoic acid
CID 81061843
N-(2-ethoxyethyl)-N-methylbenzamide
CID 81074695
N-(2-chloropropyl)-N,3-dimethylbenzamide
CID 63393760
N-(1-aminopropan-2-yl)-N,3-dimethylbenzamide
CID 82507196
N-[(3-aminophenyl)methyl]-N,3-dimethylbenzamide
CID 43457819
3-cyano-N-[2-(3,5-dimethylphenoxy)ethyl]-N-methylbenzamide
CID 16567569

Frequently Asked Questions

What is the IUPAC name of N-[2-(2-aminoethoxy)ethyl]-N,3-dimethylbenzamide?
The IUPAC name of N-[2-(2-aminoethoxy)ethyl]-N,3-dimethylbenzamide (CID 114243695) is N-[2-(2-aminoethoxy)ethyl]-N,3-dimethylbenzamide.
What is the SMILES notation for N-[2-(2-aminoethoxy)ethyl]-N,3-dimethylbenzamide?
The canonical SMILES for N-[2-(2-aminoethoxy)ethyl]-N,3-dimethylbenzamide is Cc1cccc(C(=O)N(C)CCOCCN)c1.
What is the InChIKey of N-[2-(2-aminoethoxy)ethyl]-N,3-dimethylbenzamide?
The InChIKey is QRNWULYQPJAILM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N2O2/c1-11-4-3-5-12(10-11)13(16)15(2)7-9-17-8-6-14/h3-5,10H,6-9,14H2,1-2H3.
What are the key properties of N-[2-(2-aminoethoxy)ethyl]-N,3-dimethylbenzamide?
N-[2-(2-aminoethoxy)ethyl]-N,3-dimethylbenzamide has a molecular weight of 236.31 g/mol, XLogP of 1.04, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2-aminoethoxy)ethyl]-N,3-dimethylbenzamide is sourced from PubChem (CID 114243695), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).