2-(2-aminophenyl)-N-[3-[methyl(propan-2-yl)amino]propyl]acetamide

C15H25N3O — CID 106033035

IUPAC2-(2-aminophenyl)-N-[3-[methyl(propan-2-yl)amino]propyl]acetamide
SMILESCC(C)N(C)CCCNC(=O)Cc1ccccc1N
InChIInChI=1S/C15H25N3O/c1-12(2)18(3)10-6-9-17-15(19)11-13-7-4-5-8-14(13)16/h4-5,7-8,12H,6,9-11,16H2,1-3H3,(H,17,19)
InChIKeyYFNGYUWMIXNCQV-UHFFFAOYSA-N
MW263.38 g/mol
LogP1.66
Rot. Bonds7

About 2-(2-aminophenyl)-N-[3-[methyl(propan-2-yl)amino]propyl]acetamide

2-(2-aminophenyl)-N-[3-[methyl(propan-2-yl)amino]propyl]acetamide (PubChem CID 106033035) has the molecular formula C15H25N3O and a molecular weight of 263.38 g/mol. Its IUPAC name is 2-(2-aminophenyl)-N-[3-[methyl(propan-2-yl)amino]propyl]acetamide.

Molecular Properties

Compound Name2-(2-aminophenyl)-N-[3-[methyl(propan-2-yl)amino]propyl]acetamide
PubChem CID106033035
Molecular FormulaC15H25N3O
Molecular Weight263.38 g/mol
Exact Mass263.20
IUPAC Name2-(2-aminophenyl)-N-[3-[methyl(propan-2-yl)amino]propyl]acetamide
SMILESCC(C)N(C)CCCNC(=O)Cc1ccccc1N
InChIInChI=1S/C15H25N3O/c1-12(2)18(3)10-6-9-17-15(19)11-13-7-4-5-8-14(13)16/h4-5,7-8,12H,6,9-11,16H2,1-3H3,(H,17,19)
InChIKeyYFNGYUWMIXNCQV-UHFFFAOYSA-N
XLogP1.66
TPSA58.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.38
LogP ≤ 51.66
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

2-(3-aminophenyl)-N-[4-[methyl(propan-2-yl)amino]butyl]acetamide
CID 62499698
3-amino-2-chloro-N-[3-[methyl(propan-2-yl)amino]propyl]benzamide
CID 106033172
(2S)-2-amino-N-[3-[methyl(propan-2-yl)amino]propyl]-3-phenylpropanamide
CID 106047732
6-amino-N-[3-[methyl(propan-2-yl)amino]propyl]pyridazine-3-carboxamide
CID 106050158
2-(4-aminophenoxy)-N-[3-[methyl(propan-2-yl)amino]propyl]acetamide
CID 106033043
2-(2-amino-1,3-thiazol-4-yl)-N-[3-[methyl(propan-2-yl)amino]propyl]acetamide
CID 106047664
3-amino-N-[3-[methyl(propan-2-yl)amino]propyl]-2-nitrobenzamide
CID 106050162
2-(2-aminophenyl)-N-[2-(2-hydroxyethoxy)ethyl]acetamide
CID 62499909
2-amino-3-methyl-N-[3-[methyl(propan-2-yl)amino]propyl]benzamide
CID 106033190
(2S)-2-amino-N-[3-[methyl(propan-2-yl)amino]propyl]propanamide
CID 106047587
2-(2-aminophenyl)-N-(3-cyclopropylpropyl)acetamide
CID 115753474
2-amino-N-[3-[methyl(propan-2-yl)amino]propyl]butanamide
CID 106047623

Frequently Asked Questions

What is the IUPAC name of 2-(2-aminophenyl)-N-[3-[methyl(propan-2-yl)amino]propyl]acetamide?
The IUPAC name of 2-(2-aminophenyl)-N-[3-[methyl(propan-2-yl)amino]propyl]acetamide (CID 106033035) is 2-(2-aminophenyl)-N-[3-[methyl(propan-2-yl)amino]propyl]acetamide.
What is the SMILES notation for 2-(2-aminophenyl)-N-[3-[methyl(propan-2-yl)amino]propyl]acetamide?
The canonical SMILES for 2-(2-aminophenyl)-N-[3-[methyl(propan-2-yl)amino]propyl]acetamide is CC(C)N(C)CCCNC(=O)Cc1ccccc1N.
What is the InChIKey of 2-(2-aminophenyl)-N-[3-[methyl(propan-2-yl)amino]propyl]acetamide?
The InChIKey is YFNGYUWMIXNCQV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25N3O/c1-12(2)18(3)10-6-9-17-15(19)11-13-7-4-5-8-14(13)16/h4-5,7-8,12H,6,9-11,16H2,1-3H3,(H,17,19).
What are the key properties of 2-(2-aminophenyl)-N-[3-[methyl(propan-2-yl)amino]propyl]acetamide?
2-(2-aminophenyl)-N-[3-[methyl(propan-2-yl)amino]propyl]acetamide has a molecular weight of 263.38 g/mol, XLogP of 1.66, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-aminophenyl)-N-[3-[methyl(propan-2-yl)amino]propyl]acetamide is sourced from PubChem (CID 106033035), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).