2-[(3-aminophenyl)methyl-octylamino]acetamide

C17H29N3O — CID 43461268

IUPAC2-[(3-aminophenyl)methyl-octylamino]acetamide
SMILESCCCCCCCCN(CC(N)=O)Cc1cccc(N)c1
InChIInChI=1S/C17H29N3O/c1-2-3-4-5-6-7-11-20(14-17(19)21)13-15-9-8-10-16(18)12-15/h8-10,12H,2-7,11,13-14,18H2,1H3,(H2,19,21)
InChIKeyGXAVSDGVHOBXTH-UHFFFAOYSA-N
MW291.44 g/mol
LogP2.92
Rot. Bonds11

About 2-[(3-aminophenyl)methyl-octylamino]acetamide

2-[(3-aminophenyl)methyl-octylamino]acetamide (PubChem CID 43461268) has the molecular formula C17H29N3O and a molecular weight of 291.44 g/mol. Its IUPAC name is 2-[(3-aminophenyl)methyl-octylamino]acetamide.

Molecular Properties

Compound Name2-[(3-aminophenyl)methyl-octylamino]acetamide
PubChem CID43461268
Molecular FormulaC17H29N3O
Molecular Weight291.44 g/mol
Exact Mass291.23
IUPAC Name2-[(3-aminophenyl)methyl-octylamino]acetamide
SMILESCCCCCCCCN(CC(N)=O)Cc1cccc(N)c1
InChIInChI=1S/C17H29N3O/c1-2-3-4-5-6-7-11-20(14-17(19)21)13-15-9-8-10-16(18)12-15/h8-10,12H,2-7,11,13-14,18H2,1H3,(H2,19,21)
InChIKeyGXAVSDGVHOBXTH-UHFFFAOYSA-N
XLogP2.92
TPSA72.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds11
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.44
LogP ≤ 52.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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

3-[(2-amino-2-oxoethyl)-[(3-aminophenyl)methyl]amino]propanamide
CID 43384175
2-[(3-aminophenyl)methyl-(2-propoxyethyl)amino]acetamide
CID 106453572
2-[(3-aminophenyl)methyl-[2-(diethylamino)-2-oxoethyl]amino]acetamide
CID 43461228
2-[(3-aminophenyl)methyl-[2-(trifluoromethylsulfanyl)ethyl]amino]acetamide
CID 116616285
2-[(3-aminophenyl)methyl-[2-oxo-2-(propan-2-ylamino)ethyl]amino]acetamide
CID 43461235
2-[(3-aminophenyl)methyl-propylamino]-N-methylacetamide
CID 43459714
2-[(2-amino-2-oxoethyl)-[(3-aminophenyl)methyl]amino]butanamide
CID 62899868
2-[(3-aminophenyl)methyl-(carboxymethyl)amino]acetic acid
CID 21460485
2-[(3-aminophenyl)methyl-(2-propoxyacetyl)amino]acetamide
CID 107937388
2-[(3-aminophenyl)methyl-(2-oxo-2-pyrrolidin-1-ylethyl)amino]acetamide
CID 43461225
N-[(3-aminophenyl)methyl]-N-propylpentanamide
CID 43383967
3-amino-N-(2-amino-2-oxoethyl)-N-butylbenzamide
CID 54906297

Frequently Asked Questions

What is the IUPAC name of 2-[(3-aminophenyl)methyl-octylamino]acetamide?
The IUPAC name of 2-[(3-aminophenyl)methyl-octylamino]acetamide (CID 43461268) is 2-[(3-aminophenyl)methyl-octylamino]acetamide.
What is the SMILES notation for 2-[(3-aminophenyl)methyl-octylamino]acetamide?
The canonical SMILES for 2-[(3-aminophenyl)methyl-octylamino]acetamide is CCCCCCCCN(CC(N)=O)Cc1cccc(N)c1.
What is the InChIKey of 2-[(3-aminophenyl)methyl-octylamino]acetamide?
The InChIKey is GXAVSDGVHOBXTH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H29N3O/c1-2-3-4-5-6-7-11-20(14-17(19)21)13-15-9-8-10-16(18)12-15/h8-10,12H,2-7,11,13-14,18H2,1H3,(H2,19,21).
What are the key properties of 2-[(3-aminophenyl)methyl-octylamino]acetamide?
2-[(3-aminophenyl)methyl-octylamino]acetamide has a molecular weight of 291.44 g/mol, XLogP of 2.92, 11 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3-aminophenyl)methyl-octylamino]acetamide is sourced from PubChem (CID 43461268), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).