2-[(3-aminophenyl)methyl-(2-propoxyacetyl)amino]acetamide

C14H21N3O3 — CID 107937388

IUPAC2-[(3-aminophenyl)methyl-(2-propoxyacetyl)amino]acetamide
SMILESCCCOCC(=O)N(CC(N)=O)Cc1cccc(N)c1
InChIInChI=1S/C14H21N3O3/c1-2-6-20-10-14(19)17(9-13(16)18)8-11-4-3-5-12(15)7-11/h3-5,7H,2,6,8-10,15H2,1H3,(H2,16,18)
InChIKeyABTXTGCOLXXTGY-UHFFFAOYSA-N
MW279.34 g/mol
LogP0.51
Rot. Bonds8

About 2-[(3-aminophenyl)methyl-(2-propoxyacetyl)amino]acetamide

2-[(3-aminophenyl)methyl-(2-propoxyacetyl)amino]acetamide (PubChem CID 107937388) has the molecular formula C14H21N3O3 and a molecular weight of 279.34 g/mol. Its IUPAC name is 2-[(3-aminophenyl)methyl-(2-propoxyacetyl)amino]acetamide.

Molecular Properties

Compound Name2-[(3-aminophenyl)methyl-(2-propoxyacetyl)amino]acetamide
PubChem CID107937388
Molecular FormulaC14H21N3O3
Molecular Weight279.34 g/mol
Exact Mass279.16
IUPAC Name2-[(3-aminophenyl)methyl-(2-propoxyacetyl)amino]acetamide
SMILESCCCOCC(=O)N(CC(N)=O)Cc1cccc(N)c1
InChIInChI=1S/C14H21N3O3/c1-2-6-20-10-14(19)17(9-13(16)18)8-11-4-3-5-12(15)7-11/h3-5,7H,2,6,8-10,15H2,1H3,(H2,16,18)
InChIKeyABTXTGCOLXXTGY-UHFFFAOYSA-N
XLogP0.51
TPSA98.65 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.34
LogP ≤ 50.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-[(3-aminophenyl)methyl-(2-propoxyethyl)amino]acetamide
CID 106453572
N-(2-amino-2-oxoethyl)-N-[(3-aminophenyl)methyl]-3-ethoxypropanamide
CID 62590077
2-[(3-aminophenyl)methyl-[2-(diethylamino)-2-oxoethyl]amino]acetamide
CID 43461228
2-[(3-aminophenyl)methyl-octylamino]acetamide
CID 43461268
2-[(3-aminophenyl)methyl-(2-ethoxyethylsulfonyl)amino]acetamide
CID 63246039
ethyl N-[(3-aminophenyl)methyl]-N-propylcarbamate
CID 43459708
3-[(2-amino-2-oxoethyl)-[(3-aminophenyl)methyl]amino]propanamide
CID 43384175
N-[(3-aminophenyl)methyl]-N-ethyl-3-methoxypropanamide
CID 62588734
2-[(2-amino-2-oxoethyl)-[(3-aminophenyl)methyl]amino]butanamide
CID 62899868
N-[(3-aminophenyl)methyl]-N-propylpentanamide
CID 43383967
N-[(3-aminophenyl)methyl]-2-phenyl-N-propylacetamide
CID 43459651
N-[(3-aminophenyl)methyl]-N-ethylhexanamide
CID 43383879

Frequently Asked Questions

What is the IUPAC name of 2-[(3-aminophenyl)methyl-(2-propoxyacetyl)amino]acetamide?
The IUPAC name of 2-[(3-aminophenyl)methyl-(2-propoxyacetyl)amino]acetamide (CID 107937388) is 2-[(3-aminophenyl)methyl-(2-propoxyacetyl)amino]acetamide.
What is the SMILES notation for 2-[(3-aminophenyl)methyl-(2-propoxyacetyl)amino]acetamide?
The canonical SMILES for 2-[(3-aminophenyl)methyl-(2-propoxyacetyl)amino]acetamide is CCCOCC(=O)N(CC(N)=O)Cc1cccc(N)c1.
What is the InChIKey of 2-[(3-aminophenyl)methyl-(2-propoxyacetyl)amino]acetamide?
The InChIKey is ABTXTGCOLXXTGY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N3O3/c1-2-6-20-10-14(19)17(9-13(16)18)8-11-4-3-5-12(15)7-11/h3-5,7H,2,6,8-10,15H2,1H3,(H2,16,18).
What are the key properties of 2-[(3-aminophenyl)methyl-(2-propoxyacetyl)amino]acetamide?
2-[(3-aminophenyl)methyl-(2-propoxyacetyl)amino]acetamide has a molecular weight of 279.34 g/mol, XLogP of 0.51, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3-aminophenyl)methyl-(2-propoxyacetyl)amino]acetamide is sourced from PubChem (CID 107937388), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).