2-[butyl-[2-(4-chlorophenoxy)acetyl]amino]-N-(furan-2-ylmethyl)-N-(oxolan-2-ylmethyl)acetamide

C24H31ClN2O5 — CID 42773375

IUPAC2-[butyl-[2-(4-chlorophenoxy)acetyl]amino]-N-(furan-2-ylmethyl)-N-(oxolan-2-ylmethyl)acetamide
SMILESCCCCN(CC(=O)N(Cc1ccco1)CC1CCCO1)C(=O)COc1ccc(Cl)cc1
InChIInChI=1S/C24H31ClN2O5/c1-2-3-12-26(24(29)18-32-20-10-8-19(25)9-11-20)17-23(28)27(15-21-6-4-13-30-21)16-22-7-5-14-31-22/h4,6,8-11,13,22H,2-3,5,7,12,14-18H2,1H3
InChIKeyYAXNOIDCFGGCOZ-UHFFFAOYSA-N
MW462.97 g/mol
LogP4.15
Rot. Bonds12

About 2-[butyl-[2-(4-chlorophenoxy)acetyl]amino]-N-(furan-2-ylmethyl)-N-(oxolan-2-ylmethyl)acetamide

2-[butyl-[2-(4-chlorophenoxy)acetyl]amino]-N-(furan-2-ylmethyl)-N-(oxolan-2-ylmethyl)acetamide (PubChem CID 42773375) has the molecular formula C24H31ClN2O5 and a molecular weight of 462.97 g/mol. Its IUPAC name is 2-[butyl-[2-(4-chlorophenoxy)acetyl]amino]-N-(furan-2-ylmethyl)-N-(oxolan-2-ylmethyl)acetamide.

Molecular Properties

Compound Name2-[butyl-[2-(4-chlorophenoxy)acetyl]amino]-N-(furan-2-ylmethyl)-N-(oxolan-2-ylmethyl)acetamide
PubChem CID42773375
Molecular FormulaC24H31ClN2O5
Molecular Weight462.97 g/mol
Exact Mass462.19
IUPAC Name2-[butyl-[2-(4-chlorophenoxy)acetyl]amino]-N-(furan-2-ylmethyl)-N-(oxolan-2-ylmethyl)acetamide
SMILESCCCCN(CC(=O)N(Cc1ccco1)CC1CCCO1)C(=O)COc1ccc(Cl)cc1
InChIInChI=1S/C24H31ClN2O5/c1-2-3-12-26(24(29)18-32-20-10-8-19(25)9-11-20)17-23(28)27(15-21-6-4-13-30-21)16-22-7-5-14-31-22/h4,6,8-11,13,22H,2-3,5,7,12,14-18H2,1H3
InChIKeyYAXNOIDCFGGCOZ-UHFFFAOYSA-N
XLogP4.15
TPSA72.22 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds12
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500462.97
LogP ≤ 54.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

2-[butyl-(2-methoxyacetyl)amino]-N-(furan-2-ylmethyl)-N-(oxolan-2-ylmethyl)acetamide
CID 5145346
N-butyl-N-[2-[furan-2-ylmethyl-[[(2S)-oxolan-2-yl]methyl]amino]-2-oxoethyl]pentanamide
CID 93110010
N-butyl-N-[2-[furan-2-ylmethyl-[[(2S)-oxolan-2-yl]methyl]amino]-2-oxoethyl]hexanamide
CID 93110032
2-[butyl-[2-(4-chlorophenoxy)acetyl]amino]-N-(furan-2-ylmethyl)-N-[(1-methylpyrrol-2-yl)methyl]acetamide
CID 4222099
2-[acetyl(propyl)amino]-N-(furan-2-ylmethyl)-N-[[(2R)-oxolan-2-yl]methyl]acetamide
CID 7271437
3-chloro-N-[2-[furan-2-ylmethyl-[[(2S)-oxolan-2-yl]methyl]amino]-2-oxoethyl]-N-propylbenzamide
CID 7351365
2-(4-chlorophenoxy)-N-[(4-chlorophenyl)methyl]-N-[[(2R)-oxolan-2-yl]methyl]acetamide
CID 40850277
N-butyl-N-[2-[furan-2-ylmethyl-[[(2R)-oxolan-2-yl]methyl]amino]-2-oxoethyl]-4-nitrobenzamide
CID 93110023
N-[2-[furan-2-ylmethyl-[[(2R)-oxolan-2-yl]methyl]amino]-2-oxoethyl]-3-phenyl-N-propylpropanamide
CID 7416323
N-[2-[furan-2-ylmethyl-[[(2S)-oxolan-2-yl]methyl]amino]-2-oxoethyl]-3-phenyl-N-propylpropanamide
CID 7416321
2-(4-fluorophenyl)-N-[2-[furan-2-ylmethyl(oxolan-2-ylmethyl)amino]-2-oxoethyl]-N-propylacetamide
CID 3963586
N-[2-[furan-2-ylmethyl(oxolan-2-ylmethyl)amino]-2-oxoethyl]-2-phenyl-N-propylbutanamide
CID 3423494

Frequently Asked Questions

What is the IUPAC name of 2-[butyl-[2-(4-chlorophenoxy)acetyl]amino]-N-(furan-2-ylmethyl)-N-(oxolan-2-ylmethyl)acetamide?
The IUPAC name of 2-[butyl-[2-(4-chlorophenoxy)acetyl]amino]-N-(furan-2-ylmethyl)-N-(oxolan-2-ylmethyl)acetamide (CID 42773375) is 2-[butyl-[2-(4-chlorophenoxy)acetyl]amino]-N-(furan-2-ylmethyl)-N-(oxolan-2-ylmethyl)acetamide.
What is the SMILES notation for 2-[butyl-[2-(4-chlorophenoxy)acetyl]amino]-N-(furan-2-ylmethyl)-N-(oxolan-2-ylmethyl)acetamide?
The canonical SMILES for 2-[butyl-[2-(4-chlorophenoxy)acetyl]amino]-N-(furan-2-ylmethyl)-N-(oxolan-2-ylmethyl)acetamide is CCCCN(CC(=O)N(Cc1ccco1)CC1CCCO1)C(=O)COc1ccc(Cl)cc1.
What is the InChIKey of 2-[butyl-[2-(4-chlorophenoxy)acetyl]amino]-N-(furan-2-ylmethyl)-N-(oxolan-2-ylmethyl)acetamide?
The InChIKey is YAXNOIDCFGGCOZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H31ClN2O5/c1-2-3-12-26(24(29)18-32-20-10-8-19(25)9-11-20)17-23(28)27(15-21-6-4-13-30-21)16-22-7-5-14-31-22/h4,6,8-11,13,22H,2-3,5,7,12,14-18H2,1H3.
What are the key properties of 2-[butyl-[2-(4-chlorophenoxy)acetyl]amino]-N-(furan-2-ylmethyl)-N-(oxolan-2-ylmethyl)acetamide?
2-[butyl-[2-(4-chlorophenoxy)acetyl]amino]-N-(furan-2-ylmethyl)-N-(oxolan-2-ylmethyl)acetamide has a molecular weight of 462.97 g/mol, XLogP of 4.15, 12 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[butyl-[2-(4-chlorophenoxy)acetyl]amino]-N-(furan-2-ylmethyl)-N-(oxolan-2-ylmethyl)acetamide is sourced from PubChem (CID 42773375), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).