N-(5-amino-2-methylphenyl)-2-[methyl-[(2-methylfuran-3-yl)methyl]amino]acetamide

C16H21N3O2 — CID 61426561

IUPACN-(5-amino-2-methylphenyl)-2-[methyl-[(2-methylfuran-3-yl)methyl]amino]acetamide
SMILESCc1ccc(N)cc1NC(=O)CN(C)Cc1ccoc1C
InChIInChI=1S/C16H21N3O2/c1-11-4-5-14(17)8-15(11)18-16(20)10-19(3)9-13-6-7-21-12(13)2/h4-8H,9-10,17H2,1-3H3,(H,18,20)
InChIKeyAQOILZIOZAALEO-UHFFFAOYSA-N
MW287.36 g/mol
LogP2.55
Rot. Bonds5

About N-(5-amino-2-methylphenyl)-2-[methyl-[(2-methylfuran-3-yl)methyl]amino]acetamide

N-(5-amino-2-methylphenyl)-2-[methyl-[(2-methylfuran-3-yl)methyl]amino]acetamide (PubChem CID 61426561) has the molecular formula C16H21N3O2 and a molecular weight of 287.36 g/mol. Its IUPAC name is N-(5-amino-2-methylphenyl)-2-[methyl-[(2-methylfuran-3-yl)methyl]amino]acetamide.

Molecular Properties

Compound NameN-(5-amino-2-methylphenyl)-2-[methyl-[(2-methylfuran-3-yl)methyl]amino]acetamide
PubChem CID61426561
Molecular FormulaC16H21N3O2
Molecular Weight287.36 g/mol
Exact Mass287.16
IUPAC NameN-(5-amino-2-methylphenyl)-2-[methyl-[(2-methylfuran-3-yl)methyl]amino]acetamide
SMILESCc1ccc(N)cc1NC(=O)CN(C)Cc1ccoc1C
InChIInChI=1S/C16H21N3O2/c1-11-4-5-14(17)8-15(11)18-16(20)10-19(3)9-13-6-7-21-12(13)2/h4-8H,9-10,17H2,1-3H3,(H,18,20)
InChIKeyAQOILZIOZAALEO-UHFFFAOYSA-N
XLogP2.55
TPSA71.50 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.36
LogP ≤ 52.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-(5-amino-2-fluorophenyl)-2-[methyl-[(2-methylfuran-3-yl)methyl]amino]acetamide
CID 61426513
N-(5-amino-2-methylphenyl)-2-[furan-2-ylmethyl(methyl)amino]acetamide
CID 43526619
N-(2-amino-5-fluorophenyl)-2-[methyl-[(2-methylfuran-3-yl)methyl]amino]acetamide
CID 61426421
N-(5-amino-2-methylphenyl)-2-[methyl(pentyl)amino]acetamide
CID 43294488
N-(2,5-dimethylphenyl)-2-[(2,4-dimethylphenyl)methyl-methylamino]acetamide
CID 9045365
2-[methyl-[(2-methylfuran-3-yl)methyl]amino]acetamide
CID 61370638
3-[[2-(5-amino-2-methylanilino)-2-oxoethyl]-methylamino]-N,2-dimethylpropanamide
CID 106914827
3-[methyl-[(2-methylfuran-3-yl)methyl]amino]propanehydrazide
CID 63578941
3-[[3-(5-amino-2-methylanilino)-3-oxopropyl]-methylamino]-N-methylpropanamide
CID 106914620
2-[[2-(4-amino-2-methylanilino)-2-oxoethyl]-methylamino]-N-methylacetamide
CID 43374519
N-(5-amino-2-methylphenyl)-3-[methyl(2-methylpropyl)amino]propanamide
CID 43271733
4-amino-N,2-dimethyl-N-[(2-methylfuran-3-yl)methyl]benzenesulfonamide
CID 61426919

Frequently Asked Questions

What is the IUPAC name of N-(5-amino-2-methylphenyl)-2-[methyl-[(2-methylfuran-3-yl)methyl]amino]acetamide?
The IUPAC name of N-(5-amino-2-methylphenyl)-2-[methyl-[(2-methylfuran-3-yl)methyl]amino]acetamide (CID 61426561) is N-(5-amino-2-methylphenyl)-2-[methyl-[(2-methylfuran-3-yl)methyl]amino]acetamide.
What is the SMILES notation for N-(5-amino-2-methylphenyl)-2-[methyl-[(2-methylfuran-3-yl)methyl]amino]acetamide?
The canonical SMILES for N-(5-amino-2-methylphenyl)-2-[methyl-[(2-methylfuran-3-yl)methyl]amino]acetamide is Cc1ccc(N)cc1NC(=O)CN(C)Cc1ccoc1C.
What is the InChIKey of N-(5-amino-2-methylphenyl)-2-[methyl-[(2-methylfuran-3-yl)methyl]amino]acetamide?
The InChIKey is AQOILZIOZAALEO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N3O2/c1-11-4-5-14(17)8-15(11)18-16(20)10-19(3)9-13-6-7-21-12(13)2/h4-8H,9-10,17H2,1-3H3,(H,18,20).
What are the key properties of N-(5-amino-2-methylphenyl)-2-[methyl-[(2-methylfuran-3-yl)methyl]amino]acetamide?
N-(5-amino-2-methylphenyl)-2-[methyl-[(2-methylfuran-3-yl)methyl]amino]acetamide has a molecular weight of 287.36 g/mol, XLogP of 2.55, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-amino-2-methylphenyl)-2-[methyl-[(2-methylfuran-3-yl)methyl]amino]acetamide is sourced from PubChem (CID 61426561), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).