N-[2-(dimethylamino)-2-(furan-2-yl)ethyl]-3-methylbutanamide;hydrochloride

C13H23ClN2O2 — CID 52985245

IUPACN-[2-(dimethylamino)-2-(furan-2-yl)ethyl]-3-methylbutanamide;hydrochloride
SMILESCC(C)CC(=O)NCC(c1ccco1)N(C)C.Cl
InChIInChI=1S/C13H22N2O2.ClH/c1-10(2)8-13(16)14-9-11(15(3)4)12-6-5-7-17-12;/h5-7,10-11H,8-9H2,1-4H3,(H,14,16);1H
InChIKeyVZKDEWHEZGWALZ-UHFFFAOYSA-N
MW274.79 g/mol
LogP2.47
Rot. Bonds6

About N-[2-(dimethylamino)-2-(furan-2-yl)ethyl]-3-methylbutanamide;hydrochloride

N-[2-(dimethylamino)-2-(furan-2-yl)ethyl]-3-methylbutanamide;hydrochloride (PubChem CID 52985245) has the molecular formula C13H23ClN2O2 and a molecular weight of 274.79 g/mol. Its IUPAC name is N-[2-(dimethylamino)-2-(furan-2-yl)ethyl]-3-methylbutanamide;hydrochloride.

Molecular Properties

Compound NameN-[2-(dimethylamino)-2-(furan-2-yl)ethyl]-3-methylbutanamide;hydrochloride
PubChem CID52985245
Molecular FormulaC13H23ClN2O2
Molecular Weight274.79 g/mol
Exact Mass274.14
IUPAC NameN-[2-(dimethylamino)-2-(furan-2-yl)ethyl]-3-methylbutanamide;hydrochloride
SMILESCC(C)CC(=O)NCC(c1ccco1)N(C)C.Cl
InChIInChI=1S/C13H22N2O2.ClH/c1-10(2)8-13(16)14-9-11(15(3)4)12-6-5-7-17-12;/h5-7,10-11H,8-9H2,1-4H3,(H,14,16);1H
InChIKeyVZKDEWHEZGWALZ-UHFFFAOYSA-N
XLogP2.47
TPSA45.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.79
LogP ≤ 52.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze N-[2-(dimethylamino)-2-(furan-2-yl)ethyl]-3-methylbutanamide;hydrochloride 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

(2R)-N-[(2S)-2-(dimethylamino)-2-(furan-2-yl)ethyl]-2-methylbutanamide
CID 94606457
N-[2-(furan-2-yl)-2-methoxyethyl]-3-methylbutanamide
CID 121145448
N-[(2S)-2-(dimethylamino)-2-(furan-2-yl)ethyl]-2-ethoxyacetamide
CID 95236001
6-[[2-(dimethylamino)-2-(furan-2-yl)ethyl]amino]-6-oxohexanoic acid
CID 60933195
N-[2-(dimethylamino)-2-(furan-2-yl)ethyl]benzamide;hydrochloride
CID 20994951
2-[2-[[2-(dimethylamino)-2-(furan-2-yl)ethyl]amino]-2-oxoethoxy]acetic acid
CID 60662226
2-amino-N-[2-(dimethylamino)-2-(furan-2-yl)ethyl]-4-methylpentanamide
CID 61248108
N-[2-(dimethylamino)-2-(furan-2-yl)ethyl]-2-(4-fluorophenyl)acetamide
CID 18588939
2-cyclopropyl-N-[2-(dimethylamino)-2-(furan-2-yl)ethyl]propanamide
CID 110621193
1-butan-2-yl-3-[2-(dimethylamino)-2-(furan-2-yl)ethyl]urea
CID 47216311
3-cyano-N-[(2R)-2-(dimethylamino)-2-(furan-2-yl)ethyl]-3-methylbutanamide
CID 124883855
3-amino-4-[[2-(dimethylamino)-2-(furan-2-yl)ethyl]amino]-4-oxobutanoic acid
CID 64895752

Frequently Asked Questions

What is the IUPAC name of N-[2-(dimethylamino)-2-(furan-2-yl)ethyl]-3-methylbutanamide;hydrochloride?
The IUPAC name of N-[2-(dimethylamino)-2-(furan-2-yl)ethyl]-3-methylbutanamide;hydrochloride (CID 52985245) is N-[2-(dimethylamino)-2-(furan-2-yl)ethyl]-3-methylbutanamide;hydrochloride.
What is the SMILES notation for N-[2-(dimethylamino)-2-(furan-2-yl)ethyl]-3-methylbutanamide;hydrochloride?
The canonical SMILES for N-[2-(dimethylamino)-2-(furan-2-yl)ethyl]-3-methylbutanamide;hydrochloride is CC(C)CC(=O)NCC(c1ccco1)N(C)C.Cl.
What is the InChIKey of N-[2-(dimethylamino)-2-(furan-2-yl)ethyl]-3-methylbutanamide;hydrochloride?
The InChIKey is VZKDEWHEZGWALZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N2O2.ClH/c1-10(2)8-13(16)14-9-11(15(3)4)12-6-5-7-17-12;/h5-7,10-11H,8-9H2,1-4H3,(H,14,16);1H.
What are the key properties of N-[2-(dimethylamino)-2-(furan-2-yl)ethyl]-3-methylbutanamide;hydrochloride?
N-[2-(dimethylamino)-2-(furan-2-yl)ethyl]-3-methylbutanamide;hydrochloride has a molecular weight of 274.79 g/mol, XLogP of 2.47, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(dimethylamino)-2-(furan-2-yl)ethyl]-3-methylbutanamide;hydrochloride is sourced from PubChem (CID 52985245), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).