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

C14H23N3O2 — CID 106453572

IUPAC2-[(3-aminophenyl)methyl-(2-propoxyethyl)amino]acetamide
SMILESCCCOCCN(CC(N)=O)Cc1cccc(N)c1
InChIInChI=1S/C14H23N3O2/c1-2-7-19-8-6-17(11-14(16)18)10-12-4-3-5-13(15)9-12/h3-5,9H,2,6-8,10-11,15H2,1H3,(H2,16,18)
InChIKeySDBCBEDWMDBVJU-UHFFFAOYSA-N
MW265.36 g/mol
LogP0.98
Rot. Bonds9

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

2-[(3-aminophenyl)methyl-(2-propoxyethyl)amino]acetamide (PubChem CID 106453572) has the molecular formula C14H23N3O2 and a molecular weight of 265.36 g/mol. Its IUPAC name is 2-[(3-aminophenyl)methyl-(2-propoxyethyl)amino]acetamide.

Molecular Properties

Compound Name2-[(3-aminophenyl)methyl-(2-propoxyethyl)amino]acetamide
PubChem CID106453572
Molecular FormulaC14H23N3O2
Molecular Weight265.36 g/mol
Exact Mass265.18
IUPAC Name2-[(3-aminophenyl)methyl-(2-propoxyethyl)amino]acetamide
SMILESCCCOCCN(CC(N)=O)Cc1cccc(N)c1
InChIInChI=1S/C14H23N3O2/c1-2-7-19-8-6-17(11-14(16)18)10-12-4-3-5-13(15)9-12/h3-5,9H,2,6-8,10-11,15H2,1H3,(H2,16,18)
InChIKeySDBCBEDWMDBVJU-UHFFFAOYSA-N
XLogP0.98
TPSA81.58 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.36
LogP ≤ 50.98
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-propoxyacetyl)amino]acetamide
CID 107937388
2-[(3-aminophenyl)methyl-octylamino]acetamide
CID 43461268
3-[(2-amino-2-oxoethyl)-[(3-aminophenyl)methyl]amino]propanamide
CID 43384175
3-[[bis(2-ethoxyethyl)amino]methyl]aniline
CID 82965943
2-[(3-aminophenyl)methyl-[2-(diethylamino)-2-oxoethyl]amino]acetamide
CID 43461228
N-(2-amino-2-oxoethyl)-N-[(3-aminophenyl)methyl]-3-ethoxypropanamide
CID 62590077
2-[(3-aminophenyl)methyl-[2-(trifluoromethylsulfanyl)ethyl]amino]acetamide
CID 116616285
3-[[ethyl-[2-(2-methylpropoxy)ethyl]amino]methyl]aniline
CID 106453553
2-[(3-aminophenyl)methyl-[2-oxo-2-(propan-2-ylamino)ethyl]amino]acetamide
CID 43461235
3-[[ethyl-[2-(3-methoxypropoxy)ethyl]amino]methyl]aniline
CID 103180359
2-[(3-aminophenyl)methyl-propylamino]-N-methylacetamide
CID 43459714
2-[(3-aminophenyl)methyl-(pyridin-2-ylmethyl)amino]acetamide
CID 43461218

Frequently Asked Questions

What is the IUPAC name of 2-[(3-aminophenyl)methyl-(2-propoxyethyl)amino]acetamide?
The IUPAC name of 2-[(3-aminophenyl)methyl-(2-propoxyethyl)amino]acetamide (CID 106453572) is 2-[(3-aminophenyl)methyl-(2-propoxyethyl)amino]acetamide.
What is the SMILES notation for 2-[(3-aminophenyl)methyl-(2-propoxyethyl)amino]acetamide?
The canonical SMILES for 2-[(3-aminophenyl)methyl-(2-propoxyethyl)amino]acetamide is CCCOCCN(CC(N)=O)Cc1cccc(N)c1.
What is the InChIKey of 2-[(3-aminophenyl)methyl-(2-propoxyethyl)amino]acetamide?
The InChIKey is SDBCBEDWMDBVJU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23N3O2/c1-2-7-19-8-6-17(11-14(16)18)10-12-4-3-5-13(15)9-12/h3-5,9H,2,6-8,10-11,15H2,1H3,(H2,16,18).
What are the key properties of 2-[(3-aminophenyl)methyl-(2-propoxyethyl)amino]acetamide?
2-[(3-aminophenyl)methyl-(2-propoxyethyl)amino]acetamide has a molecular weight of 265.36 g/mol, XLogP of 0.98, 9 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-propoxyethyl)amino]acetamide is sourced from PubChem (CID 106453572), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).