N-[3-[[2-(2-chlorophenyl)-2-(diethylamino)ethyl]amino]-3-oxopropyl]furan-3-carboxamide

C20H26ClN3O3 — CID 46430168

IUPACN-[3-[[2-(2-chlorophenyl)-2-(diethylamino)ethyl]amino]-3-oxopropyl]furan-3-carboxamide
SMILESCCN(CC)C(CNC(=O)CCNC(=O)c1ccoc1)c1ccccc1Cl
InChIInChI=1S/C20H26ClN3O3/c1-3-24(4-2)18(16-7-5-6-8-17(16)21)13-23-19(25)9-11-22-20(26)15-10-12-27-14-15/h5-8,10,12,14,18H,3-4,9,11,13H2,1-2H3,(H,22,26)(H,23,25)
InChIKeyHTJXTWQQGYXKKJ-UHFFFAOYSA-N
MW391.90 g/mol
LogP3.25
Rot. Bonds10

About N-[3-[[2-(2-chlorophenyl)-2-(diethylamino)ethyl]amino]-3-oxopropyl]furan-3-carboxamide

N-[3-[[2-(2-chlorophenyl)-2-(diethylamino)ethyl]amino]-3-oxopropyl]furan-3-carboxamide (PubChem CID 46430168) has the molecular formula C20H26ClN3O3 and a molecular weight of 391.90 g/mol. Its IUPAC name is N-[3-[[2-(2-chlorophenyl)-2-(diethylamino)ethyl]amino]-3-oxopropyl]furan-3-carboxamide.

Molecular Properties

Compound NameN-[3-[[2-(2-chlorophenyl)-2-(diethylamino)ethyl]amino]-3-oxopropyl]furan-3-carboxamide
PubChem CID46430168
Molecular FormulaC20H26ClN3O3
Molecular Weight391.90 g/mol
Exact Mass391.17
IUPAC NameN-[3-[[2-(2-chlorophenyl)-2-(diethylamino)ethyl]amino]-3-oxopropyl]furan-3-carboxamide
SMILESCCN(CC)C(CNC(=O)CCNC(=O)c1ccoc1)c1ccccc1Cl
InChIInChI=1S/C20H26ClN3O3/c1-3-24(4-2)18(16-7-5-6-8-17(16)21)13-23-19(25)9-11-22-20(26)15-10-12-27-14-15/h5-8,10,12,14,18H,3-4,9,11,13H2,1-2H3,(H,22,26)(H,23,25)
InChIKeyHTJXTWQQGYXKKJ-UHFFFAOYSA-N
XLogP3.25
TPSA74.58 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.90
LogP ≤ 53.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze N-[3-[[2-(2-chlorophenyl)-2-(diethylamino)ethyl]amino]-3-oxopropyl]furan-3-carboxamide with MolForge

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Related Compounds

N-[(2R)-2-(2-chlorophenyl)-2-(diethylamino)ethyl]butanamide
CID 34948840
tert-butyl N-[3-[[2-(2-chlorophenyl)-2-(diethylamino)ethyl]amino]-3-oxopropyl]carbamate
CID 43044946
4-bromo-N-[3-[[2-(2-chlorophenyl)-2-(dimethylamino)ethyl]amino]-3-oxopropyl]benzamide
CID 43003283
3-chloro-N-[2-(2-chlorophenyl)-2-(diethylamino)ethyl]benzamide
CID 18280256
N-[(2R)-2-(2-chlorophenyl)-2-(diethylamino)ethyl]-4-methoxybenzamide
CID 42279457
N-[2-(2-chlorophenyl)-2-(diethylamino)ethyl]-4-methylsulfinylbenzamide
CID 86930265
N-[3-[2-(2-hydroxyethyl)pentylamino]-3-oxopropyl]furan-3-carboxamide
CID 103725537
N-[(2S)-2-(2-chlorophenyl)-2-(diethylamino)ethyl]-2-methyl-1,3-dioxoisoindole-5-carboxamide
CID 34949059
N-[2-(2-chlorophenyl)-2-(diethylamino)ethyl]-2-imidazol-1-ylpyridine-4-carboxamide
CID 47051734
2-(6-chloro-2-methyl-3-pyridinyl)-N-[(2R)-2-(2-chlorophenyl)-2-(diethylamino)ethyl]acetamide
CID 97099413
N-[2-(2-chlorophenyl)-2-(diethylamino)ethyl]-3,4-dimethoxybenzamide
CID 18161543
N-[2-(2-chlorophenyl)-2-(diethylamino)ethyl]-2-(4-sulfamoylphenyl)acetamide
CID 56547079

Frequently Asked Questions

What is the IUPAC name of N-[3-[[2-(2-chlorophenyl)-2-(diethylamino)ethyl]amino]-3-oxopropyl]furan-3-carboxamide?
The IUPAC name of N-[3-[[2-(2-chlorophenyl)-2-(diethylamino)ethyl]amino]-3-oxopropyl]furan-3-carboxamide (CID 46430168) is N-[3-[[2-(2-chlorophenyl)-2-(diethylamino)ethyl]amino]-3-oxopropyl]furan-3-carboxamide.
What is the SMILES notation for N-[3-[[2-(2-chlorophenyl)-2-(diethylamino)ethyl]amino]-3-oxopropyl]furan-3-carboxamide?
The canonical SMILES for N-[3-[[2-(2-chlorophenyl)-2-(diethylamino)ethyl]amino]-3-oxopropyl]furan-3-carboxamide is CCN(CC)C(CNC(=O)CCNC(=O)c1ccoc1)c1ccccc1Cl.
What is the InChIKey of N-[3-[[2-(2-chlorophenyl)-2-(diethylamino)ethyl]amino]-3-oxopropyl]furan-3-carboxamide?
The InChIKey is HTJXTWQQGYXKKJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26ClN3O3/c1-3-24(4-2)18(16-7-5-6-8-17(16)21)13-23-19(25)9-11-22-20(26)15-10-12-27-14-15/h5-8,10,12,14,18H,3-4,9,11,13H2,1-2H3,(H,22,26)(H,23,25).
What are the key properties of N-[3-[[2-(2-chlorophenyl)-2-(diethylamino)ethyl]amino]-3-oxopropyl]furan-3-carboxamide?
N-[3-[[2-(2-chlorophenyl)-2-(diethylamino)ethyl]amino]-3-oxopropyl]furan-3-carboxamide has a molecular weight of 391.90 g/mol, XLogP of 3.25, 10 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[[2-(2-chlorophenyl)-2-(diethylamino)ethyl]amino]-3-oxopropyl]furan-3-carboxamide is sourced from PubChem (CID 46430168), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).