4-amino-N,N-dimethyl-3-[(5-methylfuran-2-yl)methylamino]benzamide

C15H19N3O2 — CID 63358984

IUPAC4-amino-N,N-dimethyl-3-[(5-methylfuran-2-yl)methylamino]benzamide
SMILESCc1ccc(CNc2cc(C(=O)N(C)C)ccc2N)o1
InChIInChI=1S/C15H19N3O2/c1-10-4-6-12(20-10)9-17-14-8-11(5-7-13(14)16)15(19)18(2)3/h4-8,17H,9,16H2,1-3H3
InChIKeyULBIGHDVULLOKU-UHFFFAOYSA-N
MW273.34 g/mol
LogP2.48
Rot. Bonds4

About 4-amino-N,N-dimethyl-3-[(5-methylfuran-2-yl)methylamino]benzamide

4-amino-N,N-dimethyl-3-[(5-methylfuran-2-yl)methylamino]benzamide (PubChem CID 63358984) has the molecular formula C15H19N3O2 and a molecular weight of 273.34 g/mol. Its IUPAC name is 4-amino-N,N-dimethyl-3-[(5-methylfuran-2-yl)methylamino]benzamide.

Molecular Properties

Compound Name4-amino-N,N-dimethyl-3-[(5-methylfuran-2-yl)methylamino]benzamide
PubChem CID63358984
Molecular FormulaC15H19N3O2
Molecular Weight273.34 g/mol
Exact Mass273.15
IUPAC Name4-amino-N,N-dimethyl-3-[(5-methylfuran-2-yl)methylamino]benzamide
SMILESCc1ccc(CNc2cc(C(=O)N(C)C)ccc2N)o1
InChIInChI=1S/C15H19N3O2/c1-10-4-6-12(20-10)9-17-14-8-11(5-7-13(14)16)15(19)18(2)3/h4-8,17H,9,16H2,1-3H3
InChIKeyULBIGHDVULLOKU-UHFFFAOYSA-N
XLogP2.48
TPSA71.50 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.34
LogP ≤ 52.48
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

4-amino-N,N-dimethyl-3-(thiophen-2-ylmethylamino)benzamide
CID 63361091
4-amino-3-[(4-chlorophenyl)methylamino]-N,N-dimethylbenzamide
CID 63361074
3-amino-4-[(5-methylfuran-2-yl)methylamino]benzoic acid
CID 55081894
methyl 3-amino-4-[(5-methylfuran-2-yl)methylamino]benzoate
CID 62525114
4-amino-N,N-dimethyl-3-(1,3-thiazol-2-ylmethylamino)benzamide
CID 63361104
4-chloro-2-N-[(5-methylfuran-2-yl)methyl]benzene-1,2-diamine
CID 115468900
4-amino-N,N-dimethyl-3-(4,4,4-trifluorobutylamino)benzamide
CID 115515375
4-amino-N,N-dimethyl-3-(pyridazin-3-ylmethylamino)benzamide
CID 106894872
2-[2-amino-5-(dimethylcarbamoyl)anilino]ethyl carbamate
CID 83202470
4-amino-3-[(2,3-dihydroxy-2-methylpropyl)amino]-N,N-dimethylbenzamide
CID 66169478
4-amino-N,N-dimethyl-3-[(1-methylpyrazol-4-yl)methylamino]benzamide
CID 63361195
N,N-dimethyl-3-[[2-[(5-methylfuran-2-yl)methylamino]-3,4-dioxocyclobuten-1-yl]amino]benzamide
CID 163530284

Frequently Asked Questions

What is the IUPAC name of 4-amino-N,N-dimethyl-3-[(5-methylfuran-2-yl)methylamino]benzamide?
The IUPAC name of 4-amino-N,N-dimethyl-3-[(5-methylfuran-2-yl)methylamino]benzamide (CID 63358984) is 4-amino-N,N-dimethyl-3-[(5-methylfuran-2-yl)methylamino]benzamide.
What is the SMILES notation for 4-amino-N,N-dimethyl-3-[(5-methylfuran-2-yl)methylamino]benzamide?
The canonical SMILES for 4-amino-N,N-dimethyl-3-[(5-methylfuran-2-yl)methylamino]benzamide is Cc1ccc(CNc2cc(C(=O)N(C)C)ccc2N)o1.
What is the InChIKey of 4-amino-N,N-dimethyl-3-[(5-methylfuran-2-yl)methylamino]benzamide?
The InChIKey is ULBIGHDVULLOKU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N3O2/c1-10-4-6-12(20-10)9-17-14-8-11(5-7-13(14)16)15(19)18(2)3/h4-8,17H,9,16H2,1-3H3.
What are the key properties of 4-amino-N,N-dimethyl-3-[(5-methylfuran-2-yl)methylamino]benzamide?
4-amino-N,N-dimethyl-3-[(5-methylfuran-2-yl)methylamino]benzamide has a molecular weight of 273.34 g/mol, XLogP of 2.48, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-N,N-dimethyl-3-[(5-methylfuran-2-yl)methylamino]benzamide is sourced from PubChem (CID 63358984), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).