4-[[[2-(dimethylamino)-2-(furan-2-yl)ethyl]amino]methyl]benzamide

C16H21N3O2 — CID 43232712

IUPAC4-[[[2-(dimethylamino)-2-(furan-2-yl)ethyl]amino]methyl]benzamide
SMILESCN(C)C(CNCc1ccc(C(N)=O)cc1)c1ccco1
InChIInChI=1S/C16H21N3O2/c1-19(2)14(15-4-3-9-21-15)11-18-10-12-5-7-13(8-6-12)16(17)20/h3-9,14,18H,10-11H2,1-2H3,(H2,17,20)
InChIKeyDAOGBCSWKNUTMR-UHFFFAOYSA-N
MW287.36 g/mol
LogP1.77
Rot. Bonds7

About 4-[[[2-(dimethylamino)-2-(furan-2-yl)ethyl]amino]methyl]benzamide

4-[[[2-(dimethylamino)-2-(furan-2-yl)ethyl]amino]methyl]benzamide (PubChem CID 43232712) has the molecular formula C16H21N3O2 and a molecular weight of 287.36 g/mol. Its IUPAC name is 4-[[[2-(dimethylamino)-2-(furan-2-yl)ethyl]amino]methyl]benzamide.

Molecular Properties

Compound Name4-[[[2-(dimethylamino)-2-(furan-2-yl)ethyl]amino]methyl]benzamide
PubChem CID43232712
Molecular FormulaC16H21N3O2
Molecular Weight287.36 g/mol
Exact Mass287.16
IUPAC Name4-[[[2-(dimethylamino)-2-(furan-2-yl)ethyl]amino]methyl]benzamide
SMILESCN(C)C(CNCc1ccc(C(N)=O)cc1)c1ccco1
InChIInChI=1S/C16H21N3O2/c1-19(2)14(15-4-3-9-21-15)11-18-10-12-5-7-13(8-6-12)16(17)20/h3-9,14,18H,10-11H2,1-2H3,(H2,17,20)
InChIKeyDAOGBCSWKNUTMR-UHFFFAOYSA-N
XLogP1.77
TPSA71.50 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.36
LogP ≤ 51.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 4-[[[2-(dimethylamino)-2-(furan-2-yl)ethyl]amino]methyl]benzamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

5-[[[2-(dimethylamino)-2-(furan-2-yl)ethyl]amino]methyl]furan-2-carboxylic acid
CID 63316815
1-(furan-2-yl)-N'-[[4-(2-methoxyethoxy)phenyl]methyl]-N,N-dimethylethane-1,2-diamine
CID 119125227
2-[[2-(dimethylamino)-2-(furan-2-yl)ethyl]amino]acetic acid
CID 83380917
1-(furan-2-yl)-N,N-dimethyl-N'-[[4-(trifluoromethylsulfanyl)phenyl]methyl]ethane-1,2-diamine
CID 78829971
N'-[(3,5-dichlorophenyl)methyl]-1-(furan-2-yl)-N,N-dimethylethane-1,2-diamine
CID 60789165
N-[(2R)-2-(dimethylamino)-2-(furan-2-yl)ethyl]-4-[(propan-2-ylcarbamoylamino)methyl]benzamide
CID 9152019
4-[(2-methylbutylamino)methyl]benzamide
CID 62693490
1-amino-N-[2-(dimethylamino)-2-(furan-2-yl)ethyl]cyclopropane-1-carboxamide
CID 65465992
4-[[[2-(dimethylamino)-2-(furan-2-yl)ethyl]amino]methyl]benzene-1,2,3-triol
CID 103953071
4-(diethylaminomethyl)-N-[2-(dimethylamino)-2-(furan-2-yl)ethyl]benzamide
CID 46426488
N-[2-(dimethylamino)-2-(furan-2-yl)ethyl]-4-iodobenzamide
CID 51145105
N-[2-(dimethylamino)-2-(furan-2-yl)ethyl]benzamide;hydrochloride
CID 20994951

Frequently Asked Questions

What is the IUPAC name of 4-[[[2-(dimethylamino)-2-(furan-2-yl)ethyl]amino]methyl]benzamide?
The IUPAC name of 4-[[[2-(dimethylamino)-2-(furan-2-yl)ethyl]amino]methyl]benzamide (CID 43232712) is 4-[[[2-(dimethylamino)-2-(furan-2-yl)ethyl]amino]methyl]benzamide.
What is the SMILES notation for 4-[[[2-(dimethylamino)-2-(furan-2-yl)ethyl]amino]methyl]benzamide?
The canonical SMILES for 4-[[[2-(dimethylamino)-2-(furan-2-yl)ethyl]amino]methyl]benzamide is CN(C)C(CNCc1ccc(C(N)=O)cc1)c1ccco1.
What is the InChIKey of 4-[[[2-(dimethylamino)-2-(furan-2-yl)ethyl]amino]methyl]benzamide?
The InChIKey is DAOGBCSWKNUTMR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N3O2/c1-19(2)14(15-4-3-9-21-15)11-18-10-12-5-7-13(8-6-12)16(17)20/h3-9,14,18H,10-11H2,1-2H3,(H2,17,20).
What are the key properties of 4-[[[2-(dimethylamino)-2-(furan-2-yl)ethyl]amino]methyl]benzamide?
4-[[[2-(dimethylamino)-2-(furan-2-yl)ethyl]amino]methyl]benzamide has a molecular weight of 287.36 g/mol, XLogP of 1.77, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[[2-(dimethylamino)-2-(furan-2-yl)ethyl]amino]methyl]benzamide is sourced from PubChem (CID 43232712), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).