N-[[5-(4-chlorophenyl)furan-2-yl]methyl]-2-[methyl-[2-(4-morpholin-4-ylanilino)-2-oxoethyl]amino]acetamide

C26H29ClN4O4 — CID 55365266

IUPACN-[[5-(4-chlorophenyl)furan-2-yl]methyl]-2-[methyl-[2-(4-morpholin-4-ylanilino)-2-oxoethyl]amino]acetamide
SMILESCN(CC(=O)NCc1ccc(-c2ccc(Cl)cc2)o1)CC(=O)Nc1ccc(N2CCOCC2)cc1
InChIInChI=1S/C26H29ClN4O4/c1-30(18-26(33)29-21-6-8-22(9-7-21)31-12-14-34-15-13-31)17-25(32)28-16-23-10-11-24(35-23)19-2-4-20(27)5-3-19/h2-11H,12-18H2,1H3,(H,28,32)(H,29,33)
InChIKeyAVHPRZYLQWRABR-UHFFFAOYSA-N
MW497.00 g/mol
LogP3.62
Rot. Bonds9

About N-[[5-(4-chlorophenyl)furan-2-yl]methyl]-2-[methyl-[2-(4-morpholin-4-ylanilino)-2-oxoethyl]amino]acetamide

N-[[5-(4-chlorophenyl)furan-2-yl]methyl]-2-[methyl-[2-(4-morpholin-4-ylanilino)-2-oxoethyl]amino]acetamide (PubChem CID 55365266) has the molecular formula C26H29ClN4O4 and a molecular weight of 497.00 g/mol. Its IUPAC name is N-[[5-(4-chlorophenyl)furan-2-yl]methyl]-2-[methyl-[2-(4-morpholin-4-ylanilino)-2-oxoethyl]amino]acetamide.

Molecular Properties

Compound NameN-[[5-(4-chlorophenyl)furan-2-yl]methyl]-2-[methyl-[2-(4-morpholin-4-ylanilino)-2-oxoethyl]amino]acetamide
PubChem CID55365266
Molecular FormulaC26H29ClN4O4
Molecular Weight497.00 g/mol
Exact Mass496.19
IUPAC NameN-[[5-(4-chlorophenyl)furan-2-yl]methyl]-2-[methyl-[2-(4-morpholin-4-ylanilino)-2-oxoethyl]amino]acetamide
SMILESCN(CC(=O)NCc1ccc(-c2ccc(Cl)cc2)o1)CC(=O)Nc1ccc(N2CCOCC2)cc1
InChIInChI=1S/C26H29ClN4O4/c1-30(18-26(33)29-21-6-8-22(9-7-21)31-12-14-34-15-13-31)17-25(32)28-16-23-10-11-24(35-23)19-2-4-20(27)5-3-19/h2-11H,12-18H2,1H3,(H,28,32)(H,29,33)
InChIKeyAVHPRZYLQWRABR-UHFFFAOYSA-N
XLogP3.62
TPSA87.05 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500497.00
LogP ≤ 53.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}

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Related Compounds

2-[methyl-[2-(4-morpholin-4-ylanilino)-2-oxoethyl]amino]-N-(4-morpholin-4-ylphenyl)acetamide
CID 4831881
N-[[5-(4-chlorophenyl)furan-2-yl]methyl]-2-[methyl-[2-(2-methylsulfanylanilino)-2-oxoethyl]amino]acetamide
CID 38212370
2-[[2-(tert-butylamino)-2-oxoethyl]-methylamino]-N-[[5-(4-chlorophenyl)furan-2-yl]methyl]acetamide
CID 46614912
2-[methyl-[2-(4-morpholin-4-ylanilino)-2-oxoethyl]amino]-N-(4-propan-2-ylphenyl)acetamide
CID 8592818
2-[methyl-[2-(4-morpholin-4-ylanilino)-2-oxoethyl]amino]acetamide
CID 8592798
2-[(2,4-dichlorophenyl)methyl-methylamino]-N-(4-morpholin-4-ylphenyl)acetamide
CID 8592972
2-[methyl-[2-(4-nitroanilino)-2-oxoethyl]amino]-N-(4-morpholin-4-ylphenyl)acetamide
CID 55354340
2-[methyl-[2-(4-methylsulfanylanilino)-2-oxoethyl]amino]-N-(4-morpholin-4-ylphenyl)acetamide
CID 55464363
2-[methyl-[2-(4-methylsulfonylanilino)-2-oxoethyl]amino]-N-(4-morpholin-4-ylphenyl)acetamide
CID 55464279
2-[[2-[[(2R)-butan-2-yl]amino]-2-oxoethyl]-methylamino]-N-(4-morpholin-4-ylphenyl)acetamide
CID 8592894
2-[methyl-[2-oxo-2-(2,4,6-trimethylanilino)ethyl]amino]-N-(4-morpholin-4-ylphenyl)acetamide
CID 4818824
2-[[2-[2-(2-chlorobenzoyl)hydrazinyl]-2-oxoethyl]-methylamino]-N-(4-morpholin-4-ylphenyl)acetamide
CID 55411376

Frequently Asked Questions

What is the IUPAC name of N-[[5-(4-chlorophenyl)furan-2-yl]methyl]-2-[methyl-[2-(4-morpholin-4-ylanilino)-2-oxoethyl]amino]acetamide?
The IUPAC name of N-[[5-(4-chlorophenyl)furan-2-yl]methyl]-2-[methyl-[2-(4-morpholin-4-ylanilino)-2-oxoethyl]amino]acetamide (CID 55365266) is N-[[5-(4-chlorophenyl)furan-2-yl]methyl]-2-[methyl-[2-(4-morpholin-4-ylanilino)-2-oxoethyl]amino]acetamide.
What is the SMILES notation for N-[[5-(4-chlorophenyl)furan-2-yl]methyl]-2-[methyl-[2-(4-morpholin-4-ylanilino)-2-oxoethyl]amino]acetamide?
The canonical SMILES for N-[[5-(4-chlorophenyl)furan-2-yl]methyl]-2-[methyl-[2-(4-morpholin-4-ylanilino)-2-oxoethyl]amino]acetamide is CN(CC(=O)NCc1ccc(-c2ccc(Cl)cc2)o1)CC(=O)Nc1ccc(N2CCOCC2)cc1.
What is the InChIKey of N-[[5-(4-chlorophenyl)furan-2-yl]methyl]-2-[methyl-[2-(4-morpholin-4-ylanilino)-2-oxoethyl]amino]acetamide?
The InChIKey is AVHPRZYLQWRABR-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H29ClN4O4/c1-30(18-26(33)29-21-6-8-22(9-7-21)31-12-14-34-15-13-31)17-25(32)28-16-23-10-11-24(35-23)19-2-4-20(27)5-3-19/h2-11H,12-18H2,1H3,(H,28,32)(H,29,33).
What are the key properties of N-[[5-(4-chlorophenyl)furan-2-yl]methyl]-2-[methyl-[2-(4-morpholin-4-ylanilino)-2-oxoethyl]amino]acetamide?
N-[[5-(4-chlorophenyl)furan-2-yl]methyl]-2-[methyl-[2-(4-morpholin-4-ylanilino)-2-oxoethyl]amino]acetamide has a molecular weight of 497.00 g/mol, XLogP of 3.62, 9 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[5-(4-chlorophenyl)furan-2-yl]methyl]-2-[methyl-[2-(4-morpholin-4-ylanilino)-2-oxoethyl]amino]acetamide is sourced from PubChem (CID 55365266), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).