3-(methylaminomethyl)-N-[2-[2-(2-oxopropoxy)ethoxy]ethyl]benzamide

C16H24N2O4 — CID 177339152

IUPAC3-(methylaminomethyl)-N-[2-[2-(2-oxopropoxy)ethoxy]ethyl]benzamide
SMILESCNCc1cccc(C(=O)NCCOCCOCC(C)=O)c1
InChIInChI=1S/C16H24N2O4/c1-13(19)12-22-9-8-21-7-6-18-16(20)15-5-3-4-14(10-15)11-17-2/h3-5,10,17H,6-9,11-12H2,1-2H3,(H,18,20)
InChIKeyCTWUUQLYQWQTBD-UHFFFAOYSA-N
MW308.38 g/mol
LogP0.76
Rot. Bonds11

About 3-(methylaminomethyl)-N-[2-[2-(2-oxopropoxy)ethoxy]ethyl]benzamide

3-(methylaminomethyl)-N-[2-[2-(2-oxopropoxy)ethoxy]ethyl]benzamide (PubChem CID 177339152) has the molecular formula C16H24N2O4 and a molecular weight of 308.38 g/mol. Its IUPAC name is 3-(methylaminomethyl)-N-[2-[2-(2-oxopropoxy)ethoxy]ethyl]benzamide.

Molecular Properties

Compound Name3-(methylaminomethyl)-N-[2-[2-(2-oxopropoxy)ethoxy]ethyl]benzamide
PubChem CID177339152
Molecular FormulaC16H24N2O4
Molecular Weight308.38 g/mol
Exact Mass308.17
IUPAC Name3-(methylaminomethyl)-N-[2-[2-(2-oxopropoxy)ethoxy]ethyl]benzamide
SMILESCNCc1cccc(C(=O)NCCOCCOCC(C)=O)c1
InChIInChI=1S/C16H24N2O4/c1-13(19)12-22-9-8-21-7-6-18-16(20)15-5-3-4-14(10-15)11-17-2/h3-5,10,17H,6-9,11-12H2,1-2H3,(H,18,20)
InChIKeyCTWUUQLYQWQTBD-UHFFFAOYSA-N
XLogP0.76
TPSA76.66 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds11
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.38
LogP ≤ 50.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

4-(ethylaminomethyl)-N-[2-[2-(2-oxopropoxy)ethoxy]ethyl]benzamide
CID 166949496
N-[2-[2-(methylamino)ethoxy]ethyl]benzamide
CID 166579726
3-methoxy-N-[2-(2-methylprop-2-enoxy)ethyl]benzamide
CID 115699494
4-[2-[2-[2-[2-[(3-acetylphenyl)methylamino]ethoxy]ethoxy]ethoxy]ethoxy]butan-2-one
CID 159683878
3-(2-aminoethyl)-N-(2-ethoxyethyl)benzamide
CID 55090903
2-[2-[[3-(methylaminomethyl)phenyl]carbamoylamino]ethoxy]acetic acid
CID 79463447
3-(cyanomethyl)-N-(2-methoxyethyl)benzamide
CID 59900568
N-[2-(2-hexoxyethoxy)ethyl]-4-(methylaminomethyl)benzamide
CID 90338093
N,N-dimethyl-3-(methylaminomethyl)benzamide
CID 83814364
3-[2-(2-amino-2-oxoethoxy)ethylcarbamoyl]benzoic acid
CID 114162738
2-[2-[(3-carbamoylbenzoyl)amino]ethoxy]acetic acid
CID 79457804
3-bromo-N-[2-[[2-(2-methoxyethoxy)acetyl]amino]ethyl]benzamide
CID 108539697

Frequently Asked Questions

What is the IUPAC name of 3-(methylaminomethyl)-N-[2-[2-(2-oxopropoxy)ethoxy]ethyl]benzamide?
The IUPAC name of 3-(methylaminomethyl)-N-[2-[2-(2-oxopropoxy)ethoxy]ethyl]benzamide (CID 177339152) is 3-(methylaminomethyl)-N-[2-[2-(2-oxopropoxy)ethoxy]ethyl]benzamide.
What is the SMILES notation for 3-(methylaminomethyl)-N-[2-[2-(2-oxopropoxy)ethoxy]ethyl]benzamide?
The canonical SMILES for 3-(methylaminomethyl)-N-[2-[2-(2-oxopropoxy)ethoxy]ethyl]benzamide is CNCc1cccc(C(=O)NCCOCCOCC(C)=O)c1.
What is the InChIKey of 3-(methylaminomethyl)-N-[2-[2-(2-oxopropoxy)ethoxy]ethyl]benzamide?
The InChIKey is CTWUUQLYQWQTBD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N2O4/c1-13(19)12-22-9-8-21-7-6-18-16(20)15-5-3-4-14(10-15)11-17-2/h3-5,10,17H,6-9,11-12H2,1-2H3,(H,18,20).
What are the key properties of 3-(methylaminomethyl)-N-[2-[2-(2-oxopropoxy)ethoxy]ethyl]benzamide?
3-(methylaminomethyl)-N-[2-[2-(2-oxopropoxy)ethoxy]ethyl]benzamide has a molecular weight of 308.38 g/mol, XLogP of 0.76, 11 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(methylaminomethyl)-N-[2-[2-(2-oxopropoxy)ethoxy]ethyl]benzamide is sourced from PubChem (CID 177339152), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).