N-[4-(aminomethyl)phenyl]-2-[2-ethoxyethyl(methyl)amino]acetamide

C14H23N3O2 — CID 81058978

IUPACN-[4-(aminomethyl)phenyl]-2-[2-ethoxyethyl(methyl)amino]acetamide
SMILESCCOCCN(C)CC(=O)Nc1ccc(CN)cc1
InChIInChI=1S/C14H23N3O2/c1-3-19-9-8-17(2)11-14(18)16-13-6-4-12(10-15)5-7-13/h4-7H,3,8-11,15H2,1-2H3,(H,16,18)
InChIKeyXQKPWOFTLUVIHG-UHFFFAOYSA-N
MW265.36 g/mol
LogP1.05
Rot. Bonds8

About N-[4-(aminomethyl)phenyl]-2-[2-ethoxyethyl(methyl)amino]acetamide

N-[4-(aminomethyl)phenyl]-2-[2-ethoxyethyl(methyl)amino]acetamide (PubChem CID 81058978) has the molecular formula C14H23N3O2 and a molecular weight of 265.36 g/mol. Its IUPAC name is N-[4-(aminomethyl)phenyl]-2-[2-ethoxyethyl(methyl)amino]acetamide.

Molecular Properties

Compound NameN-[4-(aminomethyl)phenyl]-2-[2-ethoxyethyl(methyl)amino]acetamide
PubChem CID81058978
Molecular FormulaC14H23N3O2
Molecular Weight265.36 g/mol
Exact Mass265.18
IUPAC NameN-[4-(aminomethyl)phenyl]-2-[2-ethoxyethyl(methyl)amino]acetamide
SMILESCCOCCN(C)CC(=O)Nc1ccc(CN)cc1
InChIInChI=1S/C14H23N3O2/c1-3-19-9-8-17(2)11-14(18)16-13-6-4-12(10-15)5-7-13/h4-7H,3,8-11,15H2,1-2H3,(H,16,18)
InChIKeyXQKPWOFTLUVIHG-UHFFFAOYSA-N
XLogP1.05
TPSA67.59 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.36
LogP ≤ 51.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-(3-aminophenyl)-2-[2-ethoxyethyl(methyl)amino]acetamide
CID 81052724
methyl 2-[[2-[4-(aminomethyl)anilino]-2-oxoethyl]-methylamino]acetate
CID 63383294
N-(4-aminophenyl)-4-[2-ethoxyethyl(methyl)amino]butanamide
CID 81053044
N-[4-(aminomethyl)phenyl]-2-[methyl(propan-2-yl)amino]acetamide
CID 16790280
N-[4-(aminomethyl)phenyl]-3-[2-(dimethylamino)ethyl-methylamino]propanamide
CID 63694622
2-[2-[4-(aminomethyl)phenoxy]ethyl-methylamino]-N-methylacetamide
CID 43374648
3-[3-(aminomethyl)phenyl]-1-(2-ethoxyethyl)-1-methylurea
CID 81056992
ethyl 2-[[2-[3-(aminomethyl)anilino]-2-oxoethyl]-methylamino]acetate
CID 63380543
N-(4-ethoxyphenyl)-2-[2-hydroxyethyl(methyl)amino]acetamide
CID 60683543
N-[4-(aminomethyl)phenyl]-2-pentoxyacetamide
CID 43275032
N-[4-(aminomethyl)phenyl]-3-[3-(dimethylamino)propyl-methylamino]propanamide
CID 63693042
N-[4-(aminomethyl)phenyl]-2-[1-(dimethylamino)propan-2-yl-ethylamino]acetamide
CID 103187880

Frequently Asked Questions

What is the IUPAC name of N-[4-(aminomethyl)phenyl]-2-[2-ethoxyethyl(methyl)amino]acetamide?
The IUPAC name of N-[4-(aminomethyl)phenyl]-2-[2-ethoxyethyl(methyl)amino]acetamide (CID 81058978) is N-[4-(aminomethyl)phenyl]-2-[2-ethoxyethyl(methyl)amino]acetamide.
What is the SMILES notation for N-[4-(aminomethyl)phenyl]-2-[2-ethoxyethyl(methyl)amino]acetamide?
The canonical SMILES for N-[4-(aminomethyl)phenyl]-2-[2-ethoxyethyl(methyl)amino]acetamide is CCOCCN(C)CC(=O)Nc1ccc(CN)cc1.
What is the InChIKey of N-[4-(aminomethyl)phenyl]-2-[2-ethoxyethyl(methyl)amino]acetamide?
The InChIKey is XQKPWOFTLUVIHG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23N3O2/c1-3-19-9-8-17(2)11-14(18)16-13-6-4-12(10-15)5-7-13/h4-7H,3,8-11,15H2,1-2H3,(H,16,18).
What are the key properties of N-[4-(aminomethyl)phenyl]-2-[2-ethoxyethyl(methyl)amino]acetamide?
N-[4-(aminomethyl)phenyl]-2-[2-ethoxyethyl(methyl)amino]acetamide has a molecular weight of 265.36 g/mol, XLogP of 1.05, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(aminomethyl)phenyl]-2-[2-ethoxyethyl(methyl)amino]acetamide is sourced from PubChem (CID 81058978), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).