N-benzyl-2-[(2,4-dimethylphenyl)carbamoyl-(2-methoxyethyl)amino]-N-[(5-methylfuran-2-yl)methyl]acetamide

C27H33N3O4 — CID 5142066

IUPACN-benzyl-2-[(2,4-dimethylphenyl)carbamoyl-(2-methoxyethyl)amino]-N-[(5-methylfuran-2-yl)methyl]acetamide
SMILESCOCCN(CC(=O)N(Cc1ccccc1)Cc1ccc(C)o1)C(=O)Nc1ccc(C)cc1C
InChIInChI=1S/C27H33N3O4/c1-20-10-13-25(21(2)16-20)28-27(32)29(14-15-33-4)19-26(31)30(17-23-8-6-5-7-9-23)18-24-12-11-22(3)34-24/h5-13,16H,14-15,17-19H2,1-4H3,(H,28,32)
InChIKeyRQSOJWXWAMZHIE-UHFFFAOYSA-N
MW463.58 g/mol
LogP4.91
Rot. Bonds10

About N-benzyl-2-[(2,4-dimethylphenyl)carbamoyl-(2-methoxyethyl)amino]-N-[(5-methylfuran-2-yl)methyl]acetamide

N-benzyl-2-[(2,4-dimethylphenyl)carbamoyl-(2-methoxyethyl)amino]-N-[(5-methylfuran-2-yl)methyl]acetamide (PubChem CID 5142066) has the molecular formula C27H33N3O4 and a molecular weight of 463.58 g/mol. Its IUPAC name is N-benzyl-2-[(2,4-dimethylphenyl)carbamoyl-(2-methoxyethyl)amino]-N-[(5-methylfuran-2-yl)methyl]acetamide.

Molecular Properties

Compound NameN-benzyl-2-[(2,4-dimethylphenyl)carbamoyl-(2-methoxyethyl)amino]-N-[(5-methylfuran-2-yl)methyl]acetamide
PubChem CID5142066
Molecular FormulaC27H33N3O4
Molecular Weight463.58 g/mol
Exact Mass463.25
IUPAC NameN-benzyl-2-[(2,4-dimethylphenyl)carbamoyl-(2-methoxyethyl)amino]-N-[(5-methylfuran-2-yl)methyl]acetamide
SMILESCOCCN(CC(=O)N(Cc1ccccc1)Cc1ccc(C)o1)C(=O)Nc1ccc(C)cc1C
InChIInChI=1S/C27H33N3O4/c1-20-10-13-25(21(2)16-20)28-27(32)29(14-15-33-4)19-26(31)30(17-23-8-6-5-7-9-23)18-24-12-11-22(3)34-24/h5-13,16H,14-15,17-19H2,1-4H3,(H,28,32)
InChIKeyRQSOJWXWAMZHIE-UHFFFAOYSA-N
XLogP4.91
TPSA75.02 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500463.58
LogP ≤ 54.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-benzyl-2-[(2-bromophenyl)carbamoyl-(2-methoxyethyl)amino]-N-[(5-methylfuran-2-yl)methyl]acetamide
CID 4128999
N-benzyl-2-[(2-ethoxyphenyl)carbamoyl-(2-methoxyethyl)amino]-N-[(5-methylfuran-2-yl)methyl]acetamide
CID 4137317
N-benzyl-2-[2-methoxyethyl-[(4-nitrophenyl)carbamoyl]amino]-N-[(5-methylfuran-2-yl)methyl]acetamide
CID 3274981
2-[(2,6-dimethylphenyl)carbamoyl-(2-methoxyethyl)amino]-N-[(4-fluorophenyl)methyl]-N-[(5-methylfuran-2-yl)methyl]acetamide
CID 4092311
N-benzyl-2-[(2,4-dimethylphenyl)carbamoyl-(2-methoxyethyl)amino]-N-[2-(1H-indol-3-yl)ethyl]acetamide
CID 5111076
N-[2-[benzyl-[(5-methylfuran-2-yl)methyl]amino]-2-oxoethyl]-2-chloro-N-(2-methoxyethyl)propanamide
CID 42773072
2-[1-adamantylcarbamoyl(2-methoxyethyl)amino]-N-benzyl-N-[(5-methylfuran-2-yl)methyl]acetamide
CID 4285566
N-(1,3-benzodioxol-5-ylmethyl)-2-[(2-fluorophenyl)carbamoyl-(2-methoxyethyl)amino]-N-[(5-methylfuran-2-yl)methyl]acetamide
CID 5121531
N-[2-[benzyl-[(5-methylfuran-2-yl)methyl]amino]-2-oxoethyl]-N-(2-methoxyethyl)cyclopentanecarboxamide
CID 4079510
N-benzyl-2-[(3,4-dimethylphenyl)carbamoyl-(2-methoxyethyl)amino]-N-(furan-2-ylmethyl)acetamide
CID 3379104
3-(2-ethylphenyl)-1-(2-methoxyethyl)-1-[(5-methylfuran-2-yl)methyl]urea
CID 42773322
2-[3-ethoxypropyl-[(2-methylphenyl)carbamoyl]amino]-N-[(5-methylfuran-2-yl)methyl]-N-(2-phenylethyl)acetamide
CID 4028602

Frequently Asked Questions

What is the IUPAC name of N-benzyl-2-[(2,4-dimethylphenyl)carbamoyl-(2-methoxyethyl)amino]-N-[(5-methylfuran-2-yl)methyl]acetamide?
The IUPAC name of N-benzyl-2-[(2,4-dimethylphenyl)carbamoyl-(2-methoxyethyl)amino]-N-[(5-methylfuran-2-yl)methyl]acetamide (CID 5142066) is N-benzyl-2-[(2,4-dimethylphenyl)carbamoyl-(2-methoxyethyl)amino]-N-[(5-methylfuran-2-yl)methyl]acetamide.
What is the SMILES notation for N-benzyl-2-[(2,4-dimethylphenyl)carbamoyl-(2-methoxyethyl)amino]-N-[(5-methylfuran-2-yl)methyl]acetamide?
The canonical SMILES for N-benzyl-2-[(2,4-dimethylphenyl)carbamoyl-(2-methoxyethyl)amino]-N-[(5-methylfuran-2-yl)methyl]acetamide is COCCN(CC(=O)N(Cc1ccccc1)Cc1ccc(C)o1)C(=O)Nc1ccc(C)cc1C.
What is the InChIKey of N-benzyl-2-[(2,4-dimethylphenyl)carbamoyl-(2-methoxyethyl)amino]-N-[(5-methylfuran-2-yl)methyl]acetamide?
The InChIKey is RQSOJWXWAMZHIE-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H33N3O4/c1-20-10-13-25(21(2)16-20)28-27(32)29(14-15-33-4)19-26(31)30(17-23-8-6-5-7-9-23)18-24-12-11-22(3)34-24/h5-13,16H,14-15,17-19H2,1-4H3,(H,28,32).
What are the key properties of N-benzyl-2-[(2,4-dimethylphenyl)carbamoyl-(2-methoxyethyl)amino]-N-[(5-methylfuran-2-yl)methyl]acetamide?
N-benzyl-2-[(2,4-dimethylphenyl)carbamoyl-(2-methoxyethyl)amino]-N-[(5-methylfuran-2-yl)methyl]acetamide has a molecular weight of 463.58 g/mol, XLogP of 4.91, 10 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-2-[(2,4-dimethylphenyl)carbamoyl-(2-methoxyethyl)amino]-N-[(5-methylfuran-2-yl)methyl]acetamide is sourced from PubChem (CID 5142066), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).