2-(4-chlorophenoxy)-N-[2-(diethylamino)-2-(furan-2-yl)ethyl]-2-methylpropanamide

C20H27ClN2O3 — CID 60595407

IUPAC2-(4-chlorophenoxy)-N-[2-(diethylamino)-2-(furan-2-yl)ethyl]-2-methylpropanamide
SMILESCCN(CC)C(CNC(=O)C(C)(C)Oc1ccc(Cl)cc1)c1ccco1
InChIInChI=1S/C20H27ClN2O3/c1-5-23(6-2)17(18-8-7-13-25-18)14-22-19(24)20(3,4)26-16-11-9-15(21)10-12-16/h7-13,17H,5-6,14H2,1-4H3,(H,22,24)
InChIKeySYKURUUPOVXMMZ-UHFFFAOYSA-N
MW378.90 g/mol
LogP4.29
Rot. Bonds9

About 2-(4-chlorophenoxy)-N-[2-(diethylamino)-2-(furan-2-yl)ethyl]-2-methylpropanamide

2-(4-chlorophenoxy)-N-[2-(diethylamino)-2-(furan-2-yl)ethyl]-2-methylpropanamide (PubChem CID 60595407) has the molecular formula C20H27ClN2O3 and a molecular weight of 378.90 g/mol. Its IUPAC name is 2-(4-chlorophenoxy)-N-[2-(diethylamino)-2-(furan-2-yl)ethyl]-2-methylpropanamide.

Molecular Properties

Compound Name2-(4-chlorophenoxy)-N-[2-(diethylamino)-2-(furan-2-yl)ethyl]-2-methylpropanamide
PubChem CID60595407
Molecular FormulaC20H27ClN2O3
Molecular Weight378.90 g/mol
Exact Mass378.17
IUPAC Name2-(4-chlorophenoxy)-N-[2-(diethylamino)-2-(furan-2-yl)ethyl]-2-methylpropanamide
SMILESCCN(CC)C(CNC(=O)C(C)(C)Oc1ccc(Cl)cc1)c1ccco1
InChIInChI=1S/C20H27ClN2O3/c1-5-23(6-2)17(18-8-7-13-25-18)14-22-19(24)20(3,4)26-16-11-9-15(21)10-12-16/h7-13,17H,5-6,14H2,1-4H3,(H,22,24)
InChIKeySYKURUUPOVXMMZ-UHFFFAOYSA-N
XLogP4.29
TPSA54.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.90
LogP ≤ 54.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(4-chlorophenoxy)-N-[2-(furan-2-yl)-2-pyrrolidin-1-ylethyl]-2-methylpropanamide
CID 42889442
N-[2-(diethylamino)-2-(furan-2-yl)ethyl]-2-(2,4,4-trimethylpentan-2-ylamino)acetamide
CID 71933658
4-[[2-(4-chlorophenoxy)-2-methylpropanoyl]amino]-3-methylbutanoic acid
CID 81063126
2-(4-chlorophenoxy)-N-[[2-(furan-2-yl)-4-pyridinyl]methyl]-2-methylpropanamide
CID 91630450
2-(4-chlorophenoxy)-N-[2-hydroxy-2-[2-(trifluoromethyl)phenyl]ethyl]-2-methylpropanamide
CID 60591637
2-(4-chlorophenoxy)-N-[[5-(furan-2-yl)-1-methylpyrazol-3-yl]methyl]-2-methylpropanamide
CID 71797324
N-[2-(diethylamino)-2-(furan-2-yl)ethyl]-2-(4-ethoxyphenyl)sulfanylacetamide
CID 55462976
2-[4-[2-[[2-(diethylamino)-2-(furan-2-yl)ethyl]amino]-2-oxoethyl]piperazin-1-yl]-N-ethylacetamide
CID 55823292
4-chloro-N-[2-(diethylamino)-2-(furan-2-yl)ethyl]-1-methylpyrazole-5-carboxamide
CID 138034235
N-[(2S)-2-(4-chlorophenyl)sulfonyl-2-(furan-2-yl)ethyl]-2,2-dimethylpropanamide
CID 7268165
N-[2-(1-benzofuran-2-yl)-2-methoxyethyl]-2-(4-chlorophenoxy)-2-methylpropanamide
CID 121021275
N-[(2R)-2-(diethylamino)-2-(furan-2-yl)ethyl]-2-(methoxymethyl)benzamide
CID 94813164

Frequently Asked Questions

What is the IUPAC name of 2-(4-chlorophenoxy)-N-[2-(diethylamino)-2-(furan-2-yl)ethyl]-2-methylpropanamide?
The IUPAC name of 2-(4-chlorophenoxy)-N-[2-(diethylamino)-2-(furan-2-yl)ethyl]-2-methylpropanamide (CID 60595407) is 2-(4-chlorophenoxy)-N-[2-(diethylamino)-2-(furan-2-yl)ethyl]-2-methylpropanamide.
What is the SMILES notation for 2-(4-chlorophenoxy)-N-[2-(diethylamino)-2-(furan-2-yl)ethyl]-2-methylpropanamide?
The canonical SMILES for 2-(4-chlorophenoxy)-N-[2-(diethylamino)-2-(furan-2-yl)ethyl]-2-methylpropanamide is CCN(CC)C(CNC(=O)C(C)(C)Oc1ccc(Cl)cc1)c1ccco1.
What is the InChIKey of 2-(4-chlorophenoxy)-N-[2-(diethylamino)-2-(furan-2-yl)ethyl]-2-methylpropanamide?
The InChIKey is SYKURUUPOVXMMZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H27ClN2O3/c1-5-23(6-2)17(18-8-7-13-25-18)14-22-19(24)20(3,4)26-16-11-9-15(21)10-12-16/h7-13,17H,5-6,14H2,1-4H3,(H,22,24).
What are the key properties of 2-(4-chlorophenoxy)-N-[2-(diethylamino)-2-(furan-2-yl)ethyl]-2-methylpropanamide?
2-(4-chlorophenoxy)-N-[2-(diethylamino)-2-(furan-2-yl)ethyl]-2-methylpropanamide has a molecular weight of 378.90 g/mol, XLogP of 4.29, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chlorophenoxy)-N-[2-(diethylamino)-2-(furan-2-yl)ethyl]-2-methylpropanamide is sourced from PubChem (CID 60595407), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).