2-[(5-chlorofuran-2-yl)methylamino]-N-ethyl-N-methylpropanamide

C11H17ClN2O2 — CID 103107113

IUPAC2-[(5-chlorofuran-2-yl)methylamino]-N-ethyl-N-methylpropanamide
SMILESCCN(C)C(=O)C(C)NCc1ccc(Cl)o1
InChIInChI=1S/C11H17ClN2O2/c1-4-14(3)11(15)8(2)13-7-9-5-6-10(12)16-9/h5-6,8,13H,4,7H2,1-3H3
InChIKeyZDIQXKUMQUWYDO-UHFFFAOYSA-N
MW244.72 g/mol
LogP1.89
Rot. Bonds5

About 2-[(5-chlorofuran-2-yl)methylamino]-N-ethyl-N-methylpropanamide

2-[(5-chlorofuran-2-yl)methylamino]-N-ethyl-N-methylpropanamide (PubChem CID 103107113) has the molecular formula C11H17ClN2O2 and a molecular weight of 244.72 g/mol. Its IUPAC name is 2-[(5-chlorofuran-2-yl)methylamino]-N-ethyl-N-methylpropanamide.

Molecular Properties

Compound Name2-[(5-chlorofuran-2-yl)methylamino]-N-ethyl-N-methylpropanamide
PubChem CID103107113
Molecular FormulaC11H17ClN2O2
Molecular Weight244.72 g/mol
Exact Mass244.10
IUPAC Name2-[(5-chlorofuran-2-yl)methylamino]-N-ethyl-N-methylpropanamide
SMILESCCN(C)C(=O)C(C)NCc1ccc(Cl)o1
InChIInChI=1S/C11H17ClN2O2/c1-4-14(3)11(15)8(2)13-7-9-5-6-10(12)16-9/h5-6,8,13H,4,7H2,1-3H3
InChIKeyZDIQXKUMQUWYDO-UHFFFAOYSA-N
XLogP1.89
TPSA45.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.72
LogP ≤ 51.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[(4-bromophenyl)methylamino]-N-ethyl-N-methylpropanamide
CID 103107208
5-[[[1-[ethyl(methyl)amino]-1-oxopropan-2-yl]amino]methyl]-3-methylfuran-2-carboxylic acid
CID 103268721
(2R)-N,N-dimethyl-2-[(5-methylfuran-2-yl)methylamino]propanamide
CID 93249413
N-ethyl-2-[[4-(hydroxymethyl)phenyl]methylamino]-N-methylpropanamide
CID 103108687
methyl 2-[(5-chlorofuran-2-yl)methylamino]-4-methylpentanoate
CID 60780311
(2R)-2-[(5-chlorofuran-2-yl)methylamino]propan-1-ol
CID 93318256
(2S)-2-[(5-chlorofuran-2-yl)methylamino]propan-1-ol
CID 93318255
2-[(5-chlorofuran-2-yl)methylamino]-1-morpholin-4-ylpropan-1-one
CID 112683112
N-ethyl-N-methyl-2-[(2,3,4-trihydroxyphenyl)methylamino]propanamide
CID 107731050
N-[(5-chlorofuran-2-yl)methyl]-3-ethylpentan-2-amine
CID 63842241
N,N-diethyl-2-[[5-(2-methylcyclopropyl)furan-2-yl]methylamino]propanamide
CID 43739403
2-[(5-bromo-2-pyridinyl)methylamino]-N-ethyl-N-methylpropanamide
CID 103108096

Frequently Asked Questions

What is the IUPAC name of 2-[(5-chlorofuran-2-yl)methylamino]-N-ethyl-N-methylpropanamide?
The IUPAC name of 2-[(5-chlorofuran-2-yl)methylamino]-N-ethyl-N-methylpropanamide (CID 103107113) is 2-[(5-chlorofuran-2-yl)methylamino]-N-ethyl-N-methylpropanamide.
What is the SMILES notation for 2-[(5-chlorofuran-2-yl)methylamino]-N-ethyl-N-methylpropanamide?
The canonical SMILES for 2-[(5-chlorofuran-2-yl)methylamino]-N-ethyl-N-methylpropanamide is CCN(C)C(=O)C(C)NCc1ccc(Cl)o1.
What is the InChIKey of 2-[(5-chlorofuran-2-yl)methylamino]-N-ethyl-N-methylpropanamide?
The InChIKey is ZDIQXKUMQUWYDO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17ClN2O2/c1-4-14(3)11(15)8(2)13-7-9-5-6-10(12)16-9/h5-6,8,13H,4,7H2,1-3H3.
What are the key properties of 2-[(5-chlorofuran-2-yl)methylamino]-N-ethyl-N-methylpropanamide?
2-[(5-chlorofuran-2-yl)methylamino]-N-ethyl-N-methylpropanamide has a molecular weight of 244.72 g/mol, XLogP of 1.89, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(5-chlorofuran-2-yl)methylamino]-N-ethyl-N-methylpropanamide is sourced from PubChem (CID 103107113), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).