2-[1-adamantylcarbamoyl(2-methoxyethyl)amino]-N-benzyl-N-[(5-methylfuran-2-yl)methyl]acetamide

C29H39N3O4 — CID 4285566

IUPAC2-[1-adamantylcarbamoyl(2-methoxyethyl)amino]-N-benzyl-N-[(5-methylfuran-2-yl)methyl]acetamide
SMILESCOCCN(CC(=O)N(Cc1ccccc1)Cc1ccc(C)o1)C(=O)NC12CC3CC(CC(C3)C1)C2
InChIInChI=1S/C29H39N3O4/c1-21-8-9-26(36-21)19-32(18-22-6-4-3-5-7-22)27(33)20-31(10-11-35-2)28(34)30-29-15-23-12-24(16-29)14-25(13-23)17-29/h3-9,23-25H,10-20H2,1-2H3,(H,30,34)
InChIKeyAPLXXQFYQBAHLP-UHFFFAOYSA-N
MW493.65 g/mol
LogP4.74
Rot. Bonds10

About 2-[1-adamantylcarbamoyl(2-methoxyethyl)amino]-N-benzyl-N-[(5-methylfuran-2-yl)methyl]acetamide

2-[1-adamantylcarbamoyl(2-methoxyethyl)amino]-N-benzyl-N-[(5-methylfuran-2-yl)methyl]acetamide (PubChem CID 4285566) has the molecular formula C29H39N3O4 and a molecular weight of 493.65 g/mol. Its IUPAC name is 2-[1-adamantylcarbamoyl(2-methoxyethyl)amino]-N-benzyl-N-[(5-methylfuran-2-yl)methyl]acetamide.

Molecular Properties

Compound Name2-[1-adamantylcarbamoyl(2-methoxyethyl)amino]-N-benzyl-N-[(5-methylfuran-2-yl)methyl]acetamide
PubChem CID4285566
Molecular FormulaC29H39N3O4
Molecular Weight493.65 g/mol
Exact Mass493.29
IUPAC Name2-[1-adamantylcarbamoyl(2-methoxyethyl)amino]-N-benzyl-N-[(5-methylfuran-2-yl)methyl]acetamide
SMILESCOCCN(CC(=O)N(Cc1ccccc1)Cc1ccc(C)o1)C(=O)NC12CC3CC(CC(C3)C1)C2
InChIInChI=1S/C29H39N3O4/c1-21-8-9-26(36-21)19-32(18-22-6-4-3-5-7-22)27(33)20-31(10-11-35-2)28(34)30-29-15-23-12-24(16-29)14-25(13-23)17-29/h3-9,23-25H,10-20H2,1-2H3,(H,30,34)
InChIKeyAPLXXQFYQBAHLP-UHFFFAOYSA-N
XLogP4.74
TPSA75.02 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500493.65
LogP ≤ 54.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[1-adamantylcarbamoyl(2-methoxyethyl)amino]-N-[(4-fluorophenyl)methyl]-N-[(5-methylfuran-2-yl)methyl]acetamide
CID 4054037
N-[2-[benzyl-[(5-methylfuran-2-yl)methyl]amino]-2-oxoethyl]-N-(2-methoxyethyl)cyclopentanecarboxamide
CID 4079510
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-[(2,4-dimethylphenyl)carbamoyl-(2-methoxyethyl)amino]-N-[(5-methylfuran-2-yl)methyl]acetamide
CID 5142066
2-[1-adamantylcarbamoyl(2-morpholin-4-ylethyl)amino]-N-[(4-fluorophenyl)methyl]-N-[(5-methylfuran-2-yl)methyl]acetamide
CID 3612529
N-[2-[benzyl-[(5-methylfuran-2-yl)methyl]amino]-2-oxoethyl]-2-chloro-N-(2-methoxyethyl)propanamide
CID 42773072
N-benzyl-2-[2-methoxyethyl-[(4-nitrophenyl)carbamoyl]amino]-N-[(5-methylfuran-2-yl)methyl]acetamide
CID 3274981
2-[1-adamantylcarbamoyl(propyl)amino]-N-benzyl-N-(thiophen-2-ylmethyl)acetamide
CID 4029663
2-[1-adamantylcarbamoyl(3-ethoxypropyl)amino]-N-benzyl-N-(thiophen-2-ylmethyl)acetamide
CID 5034342
3-(1-adamantyl)-1-[(1-benzylpyrrol-2-yl)methyl]-1-(2-methoxyethyl)urea
CID 3495765
2-[1-adamantylcarbamoyl(2-methoxyethyl)amino]-N-[2-(1H-indol-3-yl)ethyl]-N-[(4-methylphenyl)methyl]acetamide
CID 4098395

Frequently Asked Questions

What is the IUPAC name of 2-[1-adamantylcarbamoyl(2-methoxyethyl)amino]-N-benzyl-N-[(5-methylfuran-2-yl)methyl]acetamide?
The IUPAC name of 2-[1-adamantylcarbamoyl(2-methoxyethyl)amino]-N-benzyl-N-[(5-methylfuran-2-yl)methyl]acetamide (CID 4285566) is 2-[1-adamantylcarbamoyl(2-methoxyethyl)amino]-N-benzyl-N-[(5-methylfuran-2-yl)methyl]acetamide.
What is the SMILES notation for 2-[1-adamantylcarbamoyl(2-methoxyethyl)amino]-N-benzyl-N-[(5-methylfuran-2-yl)methyl]acetamide?
The canonical SMILES for 2-[1-adamantylcarbamoyl(2-methoxyethyl)amino]-N-benzyl-N-[(5-methylfuran-2-yl)methyl]acetamide is COCCN(CC(=O)N(Cc1ccccc1)Cc1ccc(C)o1)C(=O)NC12CC3CC(CC(C3)C1)C2.
What is the InChIKey of 2-[1-adamantylcarbamoyl(2-methoxyethyl)amino]-N-benzyl-N-[(5-methylfuran-2-yl)methyl]acetamide?
The InChIKey is APLXXQFYQBAHLP-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H39N3O4/c1-21-8-9-26(36-21)19-32(18-22-6-4-3-5-7-22)27(33)20-31(10-11-35-2)28(34)30-29-15-23-12-24(16-29)14-25(13-23)17-29/h3-9,23-25H,10-20H2,1-2H3,(H,30,34).
What are the key properties of 2-[1-adamantylcarbamoyl(2-methoxyethyl)amino]-N-benzyl-N-[(5-methylfuran-2-yl)methyl]acetamide?
2-[1-adamantylcarbamoyl(2-methoxyethyl)amino]-N-benzyl-N-[(5-methylfuran-2-yl)methyl]acetamide has a molecular weight of 493.65 g/mol, XLogP of 4.74, 10 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-adamantylcarbamoyl(2-methoxyethyl)amino]-N-benzyl-N-[(5-methylfuran-2-yl)methyl]acetamide is sourced from PubChem (CID 4285566), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).