N-[4-(aminomethyl)phenyl]-2-pentoxyacetamide

C14H22N2O2 — CID 43275032

IUPACN-[4-(aminomethyl)phenyl]-2-pentoxyacetamide
SMILESCCCCCOCC(=O)Nc1ccc(CN)cc1
InChIInChI=1S/C14H22N2O2/c1-2-3-4-9-18-11-14(17)16-13-7-5-12(10-15)6-8-13/h5-8H,2-4,9-11,15H2,1H3,(H,16,17)
InChIKeyXNDAHLODBJAIJG-UHFFFAOYSA-N
MW250.34 g/mol
LogP2.29
Rot. Bonds8

About N-[4-(aminomethyl)phenyl]-2-pentoxyacetamide

N-[4-(aminomethyl)phenyl]-2-pentoxyacetamide (PubChem CID 43275032) has the molecular formula C14H22N2O2 and a molecular weight of 250.34 g/mol. Its IUPAC name is N-[4-(aminomethyl)phenyl]-2-pentoxyacetamide.

Molecular Properties

Compound NameN-[4-(aminomethyl)phenyl]-2-pentoxyacetamide
PubChem CID43275032
Molecular FormulaC14H22N2O2
Molecular Weight250.34 g/mol
Exact Mass250.17
IUPAC NameN-[4-(aminomethyl)phenyl]-2-pentoxyacetamide
SMILESCCCCCOCC(=O)Nc1ccc(CN)cc1
InChIInChI=1S/C14H22N2O2/c1-2-3-4-9-18-11-14(17)16-13-7-5-12(10-15)6-8-13/h5-8H,2-4,9-11,15H2,1H3,(H,16,17)
InChIKeyXNDAHLODBJAIJG-UHFFFAOYSA-N
XLogP2.29
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.34
LogP ≤ 52.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-[4-(aminomethyl)phenyl]-3-(2-butoxyethoxy)propanamide
CID 28996025
2-[4-[(2-pentoxyacetyl)amino]phenyl]-N-propan-2-ylacetamide
CID 86871791
N-(4-cyanophenyl)-2-hexoxyacetamide
CID 29001744
2-(2-methoxyethoxy)-N-(4-propylphenyl)acetamide
CID 103606707
N-(4-acetamidophenyl)-2-(2-aminoethoxy)acetamide
CID 79463401
N-[4-[5-(aminomethyl)-1H-1,2,4-triazol-3-yl]phenyl]-2-butoxyacetamide;hydrochloride
CID 120566810
N-[4-(aminomethyl)phenyl]-2-(2-pyridin-2-ylethoxy)acetamide
CID 29006248
ethyl N-[4-[[2-(2-aminoethoxy)acetyl]amino]phenyl]carbamate
CID 79472872
N-[4-[(cyclopropylamino)methyl]phenyl]-2-propoxyacetamide
CID 107938515
N-(3-cyanophenyl)-2-hexoxyacetamide
CID 29001724
N-[4-(aminomethyl)phenyl]-3-butylsulfonylpropanamide
CID 64696802
N-(2-amino-6-methylphenyl)-2-heptoxyacetamide
CID 43376791

Frequently Asked Questions

What is the IUPAC name of N-[4-(aminomethyl)phenyl]-2-pentoxyacetamide?
The IUPAC name of N-[4-(aminomethyl)phenyl]-2-pentoxyacetamide (CID 43275032) is N-[4-(aminomethyl)phenyl]-2-pentoxyacetamide.
What is the SMILES notation for N-[4-(aminomethyl)phenyl]-2-pentoxyacetamide?
The canonical SMILES for N-[4-(aminomethyl)phenyl]-2-pentoxyacetamide is CCCCCOCC(=O)Nc1ccc(CN)cc1.
What is the InChIKey of N-[4-(aminomethyl)phenyl]-2-pentoxyacetamide?
The InChIKey is XNDAHLODBJAIJG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2O2/c1-2-3-4-9-18-11-14(17)16-13-7-5-12(10-15)6-8-13/h5-8H,2-4,9-11,15H2,1H3,(H,16,17).
What are the key properties of N-[4-(aminomethyl)phenyl]-2-pentoxyacetamide?
N-[4-(aminomethyl)phenyl]-2-pentoxyacetamide has a molecular weight of 250.34 g/mol, XLogP of 2.29, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(aminomethyl)phenyl]-2-pentoxyacetamide is sourced from PubChem (CID 43275032), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).