2-[(2-ethoxyphenyl)carbamoyl-(2-methoxyethyl)amino]-N-[(4-fluorophenyl)methyl]-N-(furan-2-ylmethyl)acetamide

C26H30FN3O5 — CID 5105102

IUPAC2-[(2-ethoxyphenyl)carbamoyl-(2-methoxyethyl)amino]-N-[(4-fluorophenyl)methyl]-N-(furan-2-ylmethyl)acetamide
SMILESCCOc1ccccc1NC(=O)N(CCOC)CC(=O)N(Cc1ccc(F)cc1)Cc1ccco1
InChIInChI=1S/C26H30FN3O5/c1-3-34-24-9-5-4-8-23(24)28-26(32)29(14-16-33-2)19-25(31)30(18-22-7-6-15-35-22)17-20-10-12-21(27)13-11-20/h4-13,15H,3,14,16-19H2,1-2H3,(H,28,32)
InChIKeyOYGVQBGBXSRZQC-UHFFFAOYSA-N
MW483.54 g/mol
LogP4.53
Rot. Bonds12

About 2-[(2-ethoxyphenyl)carbamoyl-(2-methoxyethyl)amino]-N-[(4-fluorophenyl)methyl]-N-(furan-2-ylmethyl)acetamide

2-[(2-ethoxyphenyl)carbamoyl-(2-methoxyethyl)amino]-N-[(4-fluorophenyl)methyl]-N-(furan-2-ylmethyl)acetamide (PubChem CID 5105102) has the molecular formula C26H30FN3O5 and a molecular weight of 483.54 g/mol. Its IUPAC name is 2-[(2-ethoxyphenyl)carbamoyl-(2-methoxyethyl)amino]-N-[(4-fluorophenyl)methyl]-N-(furan-2-ylmethyl)acetamide.

Molecular Properties

Compound Name2-[(2-ethoxyphenyl)carbamoyl-(2-methoxyethyl)amino]-N-[(4-fluorophenyl)methyl]-N-(furan-2-ylmethyl)acetamide
PubChem CID5105102
Molecular FormulaC26H30FN3O5
Molecular Weight483.54 g/mol
Exact Mass483.22
IUPAC Name2-[(2-ethoxyphenyl)carbamoyl-(2-methoxyethyl)amino]-N-[(4-fluorophenyl)methyl]-N-(furan-2-ylmethyl)acetamide
SMILESCCOc1ccccc1NC(=O)N(CCOC)CC(=O)N(Cc1ccc(F)cc1)Cc1ccco1
InChIInChI=1S/C26H30FN3O5/c1-3-34-24-9-5-4-8-23(24)28-26(32)29(14-16-33-2)19-25(31)30(18-22-7-6-15-35-22)17-20-10-12-21(27)13-11-20/h4-13,15H,3,14,16-19H2,1-2H3,(H,28,32)
InChIKeyOYGVQBGBXSRZQC-UHFFFAOYSA-N
XLogP4.53
TPSA84.25 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds12
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500483.54
LogP ≤ 54.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-benzyl-2-[(2-ethoxyphenyl)carbamoyl-(2-methoxyethyl)amino]-N-[(5-methylfuran-2-yl)methyl]acetamide
CID 4137317
N-[2-[(4-fluorophenyl)methyl-(furan-2-ylmethyl)amino]-2-oxoethyl]-N-(2-methoxyethyl)propanamide
CID 42773483
N-(1,3-benzodioxol-5-ylmethyl)-N-(furan-2-ylmethyl)-2-[2-methoxyethyl-[(2-methoxyphenyl)carbamoyl]amino]acetamide
CID 4205237
N-[(4-fluorophenyl)methyl]-N-(furan-2-ylmethyl)-2-[naphthalen-1-ylcarbamoyl(propyl)amino]acetamide
CID 3601767
N-[2-(3,4-dimethoxyphenyl)ethyl]-2-[(2-fluorophenyl)carbamoyl-(2-methoxyethyl)amino]-N-(furan-2-ylmethyl)acetamide
CID 5010205
trans-(1R,2R)-N-[2-[(4-fluorophenyl)methyl-(furan-2-ylmethyl)amino]-2-oxoethyl]-N-(2-methoxyethyl)-2-phenylcyclopropane-1-carboxamide
CID 93110246
N-[2-[(4-fluorophenyl)methyl-(furan-2-ylmethyl)amino]-2-oxoethyl]-N-(2-methoxyethyl)naphthalene-2-carboxamide
CID 5054945
N-[2-[(4-fluorophenyl)methyl-(furan-2-ylmethyl)amino]-2-oxoethyl]-3,5-dimethoxy-N-(2-methoxyethyl)benzamide
CID 4199823
N-[2-(3,4-dimethoxyphenyl)ethyl]-2-[(2-ethylphenyl)carbamoyl-(2-methoxyethyl)amino]-N-(furan-2-ylmethyl)acetamide
CID 4277048
N-[2-[benzyl(furan-2-ylmethyl)amino]-2-oxoethyl]-2-(4-fluorophenyl)-N-(3-methoxypropyl)acetamide
CID 3675725
2-[3-ethoxypropyl-[(4-methoxyphenyl)carbamoyl]amino]-N-[(4-fluorophenyl)methyl]-N-(furan-2-ylmethyl)acetamide
CID 4193760
N-benzyl-2-[dimethylcarbamoyl(2-methoxyethyl)amino]-N-(furan-2-ylmethyl)acetamide
CID 42773023

Frequently Asked Questions

What is the IUPAC name of 2-[(2-ethoxyphenyl)carbamoyl-(2-methoxyethyl)amino]-N-[(4-fluorophenyl)methyl]-N-(furan-2-ylmethyl)acetamide?
The IUPAC name of 2-[(2-ethoxyphenyl)carbamoyl-(2-methoxyethyl)amino]-N-[(4-fluorophenyl)methyl]-N-(furan-2-ylmethyl)acetamide (CID 5105102) is 2-[(2-ethoxyphenyl)carbamoyl-(2-methoxyethyl)amino]-N-[(4-fluorophenyl)methyl]-N-(furan-2-ylmethyl)acetamide.
What is the SMILES notation for 2-[(2-ethoxyphenyl)carbamoyl-(2-methoxyethyl)amino]-N-[(4-fluorophenyl)methyl]-N-(furan-2-ylmethyl)acetamide?
The canonical SMILES for 2-[(2-ethoxyphenyl)carbamoyl-(2-methoxyethyl)amino]-N-[(4-fluorophenyl)methyl]-N-(furan-2-ylmethyl)acetamide is CCOc1ccccc1NC(=O)N(CCOC)CC(=O)N(Cc1ccc(F)cc1)Cc1ccco1.
What is the InChIKey of 2-[(2-ethoxyphenyl)carbamoyl-(2-methoxyethyl)amino]-N-[(4-fluorophenyl)methyl]-N-(furan-2-ylmethyl)acetamide?
The InChIKey is OYGVQBGBXSRZQC-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H30FN3O5/c1-3-34-24-9-5-4-8-23(24)28-26(32)29(14-16-33-2)19-25(31)30(18-22-7-6-15-35-22)17-20-10-12-21(27)13-11-20/h4-13,15H,3,14,16-19H2,1-2H3,(H,28,32).
What are the key properties of 2-[(2-ethoxyphenyl)carbamoyl-(2-methoxyethyl)amino]-N-[(4-fluorophenyl)methyl]-N-(furan-2-ylmethyl)acetamide?
2-[(2-ethoxyphenyl)carbamoyl-(2-methoxyethyl)amino]-N-[(4-fluorophenyl)methyl]-N-(furan-2-ylmethyl)acetamide has a molecular weight of 483.54 g/mol, XLogP of 4.53, 12 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-ethoxyphenyl)carbamoyl-(2-methoxyethyl)amino]-N-[(4-fluorophenyl)methyl]-N-(furan-2-ylmethyl)acetamide is sourced from PubChem (CID 5105102), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).