4-(diethylaminomethyl)-N-[2-(dimethylamino)-2-(furan-2-yl)ethyl]benzamide

C20H29N3O2 — CID 46426488

IUPAC4-(diethylaminomethyl)-N-[2-(dimethylamino)-2-(furan-2-yl)ethyl]benzamide
SMILESCCN(CC)Cc1ccc(C(=O)NCC(c2ccco2)N(C)C)cc1
InChIInChI=1S/C20H29N3O2/c1-5-23(6-2)15-16-9-11-17(12-10-16)20(24)21-14-18(22(3)4)19-8-7-13-25-19/h7-13,18H,5-6,14-15H2,1-4H3,(H,21,24)
InChIKeyZOTZILRDFWCOLA-UHFFFAOYSA-N
MW343.47 g/mol
LogP3.15
Rot. Bonds9

About 4-(diethylaminomethyl)-N-[2-(dimethylamino)-2-(furan-2-yl)ethyl]benzamide

4-(diethylaminomethyl)-N-[2-(dimethylamino)-2-(furan-2-yl)ethyl]benzamide (PubChem CID 46426488) has the molecular formula C20H29N3O2 and a molecular weight of 343.47 g/mol. Its IUPAC name is 4-(diethylaminomethyl)-N-[2-(dimethylamino)-2-(furan-2-yl)ethyl]benzamide.

Molecular Properties

Compound Name4-(diethylaminomethyl)-N-[2-(dimethylamino)-2-(furan-2-yl)ethyl]benzamide
PubChem CID46426488
Molecular FormulaC20H29N3O2
Molecular Weight343.47 g/mol
Exact Mass343.23
IUPAC Name4-(diethylaminomethyl)-N-[2-(dimethylamino)-2-(furan-2-yl)ethyl]benzamide
SMILESCCN(CC)Cc1ccc(C(=O)NCC(c2ccco2)N(C)C)cc1
InChIInChI=1S/C20H29N3O2/c1-5-23(6-2)15-16-9-11-17(12-10-16)20(24)21-14-18(22(3)4)19-8-7-13-25-19/h7-13,18H,5-6,14-15H2,1-4H3,(H,21,24)
InChIKeyZOTZILRDFWCOLA-UHFFFAOYSA-N
XLogP3.15
TPSA48.72 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.47
LogP ≤ 53.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[2-(dimethylamino)-2-(furan-2-yl)ethyl]-4-iodobenzamide
CID 51145105
N-[2-(dimethylamino)-2-(furan-2-yl)ethyl]benzamide;hydrochloride
CID 20994951
N-[2-(dimethylamino)-2-(furan-2-yl)ethyl]-4-fluorobenzamide;hydrochloride
CID 52985207
N-[(2R)-2-(dimethylamino)-2-(furan-2-yl)ethyl]-4-[(propan-2-ylcarbamoylamino)methyl]benzamide
CID 9152019
6-bromo-N-[2-(dimethylamino)-2-(furan-2-yl)ethyl]pyridine-3-carboxamide
CID 66462156
3,5-dichloro-N-[2-(dimethylamino)-2-(furan-2-yl)ethyl]-4-ethoxybenzamide
CID 19114423
N-[2-(dimethylamino)-2-(furan-2-yl)ethyl]-3-iodobenzamide
CID 51145107
3-amino-N-[2-(dimethylamino)-2-(furan-2-yl)ethyl]benzamide
CID 61250548
N-[2-(dimethylamino)-2-(furan-2-yl)ethyl]-4-ethoxy-3-methoxybenzamide
CID 51162709
N-[2-(dimethylamino)-2-(furan-2-yl)ethyl]-2-(4-fluorophenyl)acetamide
CID 18588939
N-[2-(furan-2-yl)-2-hydroxyethyl]-4-[[methyl(2-methylpropanoyl)amino]methyl]benzamide
CID 111477186
2-N,6-N-bis[2-(dimethylamino)-2-(furan-2-yl)ethyl]pyridine-2,6-dicarboxamide
CID 46604974

Frequently Asked Questions

What is the IUPAC name of 4-(diethylaminomethyl)-N-[2-(dimethylamino)-2-(furan-2-yl)ethyl]benzamide?
The IUPAC name of 4-(diethylaminomethyl)-N-[2-(dimethylamino)-2-(furan-2-yl)ethyl]benzamide (CID 46426488) is 4-(diethylaminomethyl)-N-[2-(dimethylamino)-2-(furan-2-yl)ethyl]benzamide.
What is the SMILES notation for 4-(diethylaminomethyl)-N-[2-(dimethylamino)-2-(furan-2-yl)ethyl]benzamide?
The canonical SMILES for 4-(diethylaminomethyl)-N-[2-(dimethylamino)-2-(furan-2-yl)ethyl]benzamide is CCN(CC)Cc1ccc(C(=O)NCC(c2ccco2)N(C)C)cc1.
What is the InChIKey of 4-(diethylaminomethyl)-N-[2-(dimethylamino)-2-(furan-2-yl)ethyl]benzamide?
The InChIKey is ZOTZILRDFWCOLA-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H29N3O2/c1-5-23(6-2)15-16-9-11-17(12-10-16)20(24)21-14-18(22(3)4)19-8-7-13-25-19/h7-13,18H,5-6,14-15H2,1-4H3,(H,21,24).
What are the key properties of 4-(diethylaminomethyl)-N-[2-(dimethylamino)-2-(furan-2-yl)ethyl]benzamide?
4-(diethylaminomethyl)-N-[2-(dimethylamino)-2-(furan-2-yl)ethyl]benzamide has a molecular weight of 343.47 g/mol, XLogP of 3.15, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(diethylaminomethyl)-N-[2-(dimethylamino)-2-(furan-2-yl)ethyl]benzamide is sourced from PubChem (CID 46426488), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).