2-[[2-(4-chlorophenoxy)acetyl]-(2-methoxyethyl)amino]-N-(furan-2-ylmethyl)-N-[(1-methylpyrrol-2-yl)methyl]acetamide

C24H28ClN3O5 — CID 3373535

IUPAC2-[[2-(4-chlorophenoxy)acetyl]-(2-methoxyethyl)amino]-N-(furan-2-ylmethyl)-N-[(1-methylpyrrol-2-yl)methyl]acetamide
SMILESCOCCN(CC(=O)N(Cc1ccco1)Cc1cccn1C)C(=O)COc1ccc(Cl)cc1
InChIInChI=1S/C24H28ClN3O5/c1-26-11-3-5-20(26)15-28(16-22-6-4-13-32-22)23(29)17-27(12-14-31-2)24(30)18-33-21-9-7-19(25)8-10-21/h3-11,13H,12,14-18H2,1-2H3
InChIKeyYSWCJGQDYAAMQD-UHFFFAOYSA-N
MW473.96 g/mol
LogP3.35
Rot. Bonds12

About 2-[[2-(4-chlorophenoxy)acetyl]-(2-methoxyethyl)amino]-N-(furan-2-ylmethyl)-N-[(1-methylpyrrol-2-yl)methyl]acetamide

2-[[2-(4-chlorophenoxy)acetyl]-(2-methoxyethyl)amino]-N-(furan-2-ylmethyl)-N-[(1-methylpyrrol-2-yl)methyl]acetamide (PubChem CID 3373535) has the molecular formula C24H28ClN3O5 and a molecular weight of 473.96 g/mol. Its IUPAC name is 2-[[2-(4-chlorophenoxy)acetyl]-(2-methoxyethyl)amino]-N-(furan-2-ylmethyl)-N-[(1-methylpyrrol-2-yl)methyl]acetamide.

Molecular Properties

Compound Name2-[[2-(4-chlorophenoxy)acetyl]-(2-methoxyethyl)amino]-N-(furan-2-ylmethyl)-N-[(1-methylpyrrol-2-yl)methyl]acetamide
PubChem CID3373535
Molecular FormulaC24H28ClN3O5
Molecular Weight473.96 g/mol
Exact Mass473.17
IUPAC Name2-[[2-(4-chlorophenoxy)acetyl]-(2-methoxyethyl)amino]-N-(furan-2-ylmethyl)-N-[(1-methylpyrrol-2-yl)methyl]acetamide
SMILESCOCCN(CC(=O)N(Cc1ccco1)Cc1cccn1C)C(=O)COc1ccc(Cl)cc1
InChIInChI=1S/C24H28ClN3O5/c1-26-11-3-5-20(26)15-28(16-22-6-4-13-32-22)23(29)17-27(12-14-31-2)24(30)18-33-21-9-7-19(25)8-10-21/h3-11,13H,12,14-18H2,1-2H3
InChIKeyYSWCJGQDYAAMQD-UHFFFAOYSA-N
XLogP3.35
TPSA77.15 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds12
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500473.96
LogP ≤ 53.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

2-[butyl-[2-(4-chlorophenoxy)acetyl]amino]-N-(furan-2-ylmethyl)-N-[(1-methylpyrrol-2-yl)methyl]acetamide
CID 4222099
N-(furan-2-ylmethyl)-2-[(2-methoxyacetyl)-(2-methoxyethyl)amino]-N-[(1-methylpyrrol-2-yl)methyl]acetamide
CID 3498628
N-butyl-2-[[2-(4-chlorophenoxy)acetyl]-(2-methoxyethyl)amino]-N-[(1-methylpyrrol-2-yl)methyl]acetamide
CID 3490295
2-[[2-(4-chlorophenoxy)acetyl]-(2-methoxyethyl)amino]-N-cyclopropyl-N-[(1-methylpyrrol-2-yl)methyl]acetamide
CID 3902809
N-butyl-2-[[2-(4-chlorophenoxy)acetyl]-(3-methoxypropyl)amino]-N-[(1-methylpyrrol-2-yl)methyl]acetamide
CID 3373531
3,5-dichloro-N-[2-[furan-2-ylmethyl-[(1-methylpyrrol-2-yl)methyl]amino]-2-oxoethyl]-N-(3-methoxypropyl)benzamide
CID 3434169
3-chloro-N-[2-[furan-2-ylmethyl-[(1-methylpyrrol-2-yl)methyl]amino]-2-oxoethyl]-N-(3-methoxypropyl)benzamide
CID 4039810
2-[(4-bromophenyl)carbamoyl-(2-methoxyethyl)amino]-N-(furan-2-ylmethyl)-N-[(1-methylpyrrol-2-yl)methyl]acetamide
CID 4029795
2-[[2-(4-chlorophenoxy)acetyl]-propylamino]-N-(2-methylpropyl)-N-[(1-methylpyrrol-2-yl)methyl]acetamide
CID 4244155
N-(furan-2-ylmethyl)-2-[2-methoxyethyl-[(3-methylphenyl)carbamoyl]amino]-N-[(1-methylpyrrol-2-yl)methyl]acetamide
CID 3981967
3-cyclopentyl-N-[2-[furan-2-ylmethyl-[(1-methylpyrrol-2-yl)methyl]amino]-2-oxoethyl]-N-(3-methoxypropyl)propanamide
CID 5174064
N-(furan-2-ylmethyl)-2-[(4-methoxyphenyl)sulfonyl-(3-methoxypropyl)amino]-N-[(1-methylpyrrol-2-yl)methyl]acetamide
CID 42768147

Frequently Asked Questions

What is the IUPAC name of 2-[[2-(4-chlorophenoxy)acetyl]-(2-methoxyethyl)amino]-N-(furan-2-ylmethyl)-N-[(1-methylpyrrol-2-yl)methyl]acetamide?
The IUPAC name of 2-[[2-(4-chlorophenoxy)acetyl]-(2-methoxyethyl)amino]-N-(furan-2-ylmethyl)-N-[(1-methylpyrrol-2-yl)methyl]acetamide (CID 3373535) is 2-[[2-(4-chlorophenoxy)acetyl]-(2-methoxyethyl)amino]-N-(furan-2-ylmethyl)-N-[(1-methylpyrrol-2-yl)methyl]acetamide.
What is the SMILES notation for 2-[[2-(4-chlorophenoxy)acetyl]-(2-methoxyethyl)amino]-N-(furan-2-ylmethyl)-N-[(1-methylpyrrol-2-yl)methyl]acetamide?
The canonical SMILES for 2-[[2-(4-chlorophenoxy)acetyl]-(2-methoxyethyl)amino]-N-(furan-2-ylmethyl)-N-[(1-methylpyrrol-2-yl)methyl]acetamide is COCCN(CC(=O)N(Cc1ccco1)Cc1cccn1C)C(=O)COc1ccc(Cl)cc1.
What is the InChIKey of 2-[[2-(4-chlorophenoxy)acetyl]-(2-methoxyethyl)amino]-N-(furan-2-ylmethyl)-N-[(1-methylpyrrol-2-yl)methyl]acetamide?
The InChIKey is YSWCJGQDYAAMQD-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H28ClN3O5/c1-26-11-3-5-20(26)15-28(16-22-6-4-13-32-22)23(29)17-27(12-14-31-2)24(30)18-33-21-9-7-19(25)8-10-21/h3-11,13H,12,14-18H2,1-2H3.
What are the key properties of 2-[[2-(4-chlorophenoxy)acetyl]-(2-methoxyethyl)amino]-N-(furan-2-ylmethyl)-N-[(1-methylpyrrol-2-yl)methyl]acetamide?
2-[[2-(4-chlorophenoxy)acetyl]-(2-methoxyethyl)amino]-N-(furan-2-ylmethyl)-N-[(1-methylpyrrol-2-yl)methyl]acetamide has a molecular weight of 473.96 g/mol, XLogP of 3.35, 12 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-(4-chlorophenoxy)acetyl]-(2-methoxyethyl)amino]-N-(furan-2-ylmethyl)-N-[(1-methylpyrrol-2-yl)methyl]acetamide is sourced from PubChem (CID 3373535), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).