2-(3-aminophenyl)-N-[4-[methyl(propan-2-yl)amino]butyl]acetamide

C16H27N3O — CID 62499698

IUPAC2-(3-aminophenyl)-N-[4-[methyl(propan-2-yl)amino]butyl]acetamide
SMILESCC(C)N(C)CCCCNC(=O)Cc1cccc(N)c1
InChIInChI=1S/C16H27N3O/c1-13(2)19(3)10-5-4-9-18-16(20)12-14-7-6-8-15(17)11-14/h6-8,11,13H,4-5,9-10,12,17H2,1-3H3,(H,18,20)
InChIKeyMTLVVOSARLVNSX-UHFFFAOYSA-N
MW277.41 g/mol
LogP2.05
Rot. Bonds8

About 2-(3-aminophenyl)-N-[4-[methyl(propan-2-yl)amino]butyl]acetamide

2-(3-aminophenyl)-N-[4-[methyl(propan-2-yl)amino]butyl]acetamide (PubChem CID 62499698) has the molecular formula C16H27N3O and a molecular weight of 277.41 g/mol. Its IUPAC name is 2-(3-aminophenyl)-N-[4-[methyl(propan-2-yl)amino]butyl]acetamide.

Molecular Properties

Compound Name2-(3-aminophenyl)-N-[4-[methyl(propan-2-yl)amino]butyl]acetamide
PubChem CID62499698
Molecular FormulaC16H27N3O
Molecular Weight277.41 g/mol
Exact Mass277.22
IUPAC Name2-(3-aminophenyl)-N-[4-[methyl(propan-2-yl)amino]butyl]acetamide
SMILESCC(C)N(C)CCCCNC(=O)Cc1cccc(N)c1
InChIInChI=1S/C16H27N3O/c1-13(2)19(3)10-5-4-9-18-16(20)12-14-7-6-8-15(17)11-14/h6-8,11,13H,4-5,9-10,12,17H2,1-3H3,(H,18,20)
InChIKeyMTLVVOSARLVNSX-UHFFFAOYSA-N
XLogP2.05
TPSA58.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.41
LogP ≤ 52.05
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-[2-[di(propan-2-yl)amino]ethyl]acetamide
CID 62498674
2-(3-aminophenyl)-N-(3-methylsulfonylpropyl)acetamide
CID 62500011
2-(2-aminophenyl)-N-[3-[methyl(propan-2-yl)amino]propyl]acetamide
CID 106033035
2-(3-aminophenyl)-N-propylacetamide
CID 28689659
2-(3-aminophenyl)-N-(3-cyanopropyl)acetamide
CID 65349832
2-(3-aminophenyl)-N-(5-oxopentyl)acetamide
CID 59992785
2-(3-aminophenyl)-N-(2-sulfamoylethyl)acetamide
CID 55084090
3-amino-N-[2-[methyl(propan-2-yl)amino]ethyl]benzamide;dihydrochloride
CID 119874425
2-(3-aminophenyl)-N-[(2R)-3-methylbutan-2-yl]acetamide
CID 94459377
2-(3-aminophenyl)-N-[2-(2-methoxyethylamino)-2-oxoethyl]-N-methylacetamide
CID 62499845
3-(3-aminophenyl)-N-(4-propan-2-yloxybutyl)propanamide
CID 106006137
3-[[2-(3-aminophenyl)acetyl]amino]-2-methylpropanoic acid
CID 65349881

Frequently Asked Questions

What is the IUPAC name of 2-(3-aminophenyl)-N-[4-[methyl(propan-2-yl)amino]butyl]acetamide?
The IUPAC name of 2-(3-aminophenyl)-N-[4-[methyl(propan-2-yl)amino]butyl]acetamide (CID 62499698) is 2-(3-aminophenyl)-N-[4-[methyl(propan-2-yl)amino]butyl]acetamide.
What is the SMILES notation for 2-(3-aminophenyl)-N-[4-[methyl(propan-2-yl)amino]butyl]acetamide?
The canonical SMILES for 2-(3-aminophenyl)-N-[4-[methyl(propan-2-yl)amino]butyl]acetamide is CC(C)N(C)CCCCNC(=O)Cc1cccc(N)c1.
What is the InChIKey of 2-(3-aminophenyl)-N-[4-[methyl(propan-2-yl)amino]butyl]acetamide?
The InChIKey is MTLVVOSARLVNSX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H27N3O/c1-13(2)19(3)10-5-4-9-18-16(20)12-14-7-6-8-15(17)11-14/h6-8,11,13H,4-5,9-10,12,17H2,1-3H3,(H,18,20).
What are the key properties of 2-(3-aminophenyl)-N-[4-[methyl(propan-2-yl)amino]butyl]acetamide?
2-(3-aminophenyl)-N-[4-[methyl(propan-2-yl)amino]butyl]acetamide has a molecular weight of 277.41 g/mol, XLogP of 2.05, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-aminophenyl)-N-[4-[methyl(propan-2-yl)amino]butyl]acetamide is sourced from PubChem (CID 62499698), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).