N-[2-[benzyl(thiophen-2-ylmethyl)amino]-2-oxoethyl]-N-(2-morpholin-4-ylethyl)octanamide

C28H41N3O3S — CID 3897940

IUPACN-[2-[benzyl(thiophen-2-ylmethyl)amino]-2-oxoethyl]-N-(2-morpholin-4-ylethyl)octanamide
SMILESCCCCCCCC(=O)N(CCN1CCOCC1)CC(=O)N(Cc1ccccc1)Cc1cccs1
InChIInChI=1S/C28H41N3O3S/c1-2-3-4-5-9-14-27(32)30(16-15-29-17-19-34-20-18-29)24-28(33)31(23-26-13-10-21-35-26)22-25-11-7-6-8-12-25/h6-8,10-13,21H,2-5,9,14-20,22-24H2,1H3
InChIKeyLWKVMSAOOAMSDR-UHFFFAOYSA-N
MW499.72 g/mol
LogP4.80
Rot. Bonds15

About N-[2-[benzyl(thiophen-2-ylmethyl)amino]-2-oxoethyl]-N-(2-morpholin-4-ylethyl)octanamide

N-[2-[benzyl(thiophen-2-ylmethyl)amino]-2-oxoethyl]-N-(2-morpholin-4-ylethyl)octanamide (PubChem CID 3897940) has the molecular formula C28H41N3O3S and a molecular weight of 499.72 g/mol. Its IUPAC name is N-[2-[benzyl(thiophen-2-ylmethyl)amino]-2-oxoethyl]-N-(2-morpholin-4-ylethyl)octanamide.

Molecular Properties

Compound NameN-[2-[benzyl(thiophen-2-ylmethyl)amino]-2-oxoethyl]-N-(2-morpholin-4-ylethyl)octanamide
PubChem CID3897940
Molecular FormulaC28H41N3O3S
Molecular Weight499.72 g/mol
Exact Mass499.29
IUPAC NameN-[2-[benzyl(thiophen-2-ylmethyl)amino]-2-oxoethyl]-N-(2-morpholin-4-ylethyl)octanamide
SMILESCCCCCCCC(=O)N(CCN1CCOCC1)CC(=O)N(Cc1ccccc1)Cc1cccs1
InChIInChI=1S/C28H41N3O3S/c1-2-3-4-5-9-14-27(32)30(16-15-29-17-19-34-20-18-29)24-28(33)31(23-26-13-10-21-35-26)22-25-11-7-6-8-12-25/h6-8,10-13,21H,2-5,9,14-20,22-24H2,1H3
InChIKeyLWKVMSAOOAMSDR-UHFFFAOYSA-N
XLogP4.80
TPSA53.09 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds15
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500499.72
LogP ≤ 54.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-[2-[benzyl-[(5-methylthiophen-2-yl)methyl]amino]-2-oxoethyl]-N-(2-morpholin-4-ylethyl)nonanamide
CID 3880529
N-[2-[benzyl(thiophen-2-ylmethyl)amino]-2-oxoethyl]-N-(2-morpholin-4-ylethyl)-2-phenylacetamide
CID 4008750
N-[2-[benzyl(thiophen-2-ylmethyl)amino]-2-oxoethyl]-3-cyclopentyl-N-(2-morpholin-4-ylethyl)propanamide
CID 4541913
N-[2-[benzyl-[(5-methylthiophen-2-yl)methyl]amino]-2-oxoethyl]-N-(2-morpholin-4-ylethyl)pentanamide
CID 3442164
N-[2-[benzyl(thiophen-2-ylmethyl)amino]-2-oxoethyl]-N-(2-methoxyethyl)octanamide
CID 4288111
N-[2-[benzyl(thiophen-2-ylmethyl)amino]-2-oxoethyl]-N-(3-methoxypropyl)octanamide
CID 3979411
N-[2-[benzyl(thiophen-2-ylmethyl)amino]-2-oxoethyl]-N-(2-methylbutyl)tetradecanamide
CID 3451505
N-[2-[benzyl(thiophen-2-ylmethyl)amino]-2-oxoethyl]-N-(2-methylpropyl)hexanamide
CID 3581124
N-[2-[furan-2-ylmethyl(2-phenylethyl)amino]-2-oxoethyl]-N-(2-morpholin-4-ylethyl)nonanamide
CID 3490337
N-benzyl-2-[(4-chlorophenyl)carbamoyl-(2-morpholin-4-ylethyl)amino]-N-(thiophen-2-ylmethyl)acetamide
CID 3575220
2-[dimethylcarbamoyl(2-morpholin-4-ylethyl)amino]-N-[(4-fluorophenyl)methyl]-N-(thiophen-2-ylmethyl)acetamide
CID 42776402
N-benzyl-2-[(3-methoxyphenyl)carbamoyl-(2-morpholin-4-ylethyl)amino]-N-(thiophen-2-ylmethyl)acetamide
CID 1060019

Frequently Asked Questions

What is the IUPAC name of N-[2-[benzyl(thiophen-2-ylmethyl)amino]-2-oxoethyl]-N-(2-morpholin-4-ylethyl)octanamide?
The IUPAC name of N-[2-[benzyl(thiophen-2-ylmethyl)amino]-2-oxoethyl]-N-(2-morpholin-4-ylethyl)octanamide (CID 3897940) is N-[2-[benzyl(thiophen-2-ylmethyl)amino]-2-oxoethyl]-N-(2-morpholin-4-ylethyl)octanamide.
What is the SMILES notation for N-[2-[benzyl(thiophen-2-ylmethyl)amino]-2-oxoethyl]-N-(2-morpholin-4-ylethyl)octanamide?
The canonical SMILES for N-[2-[benzyl(thiophen-2-ylmethyl)amino]-2-oxoethyl]-N-(2-morpholin-4-ylethyl)octanamide is CCCCCCCC(=O)N(CCN1CCOCC1)CC(=O)N(Cc1ccccc1)Cc1cccs1.
What is the InChIKey of N-[2-[benzyl(thiophen-2-ylmethyl)amino]-2-oxoethyl]-N-(2-morpholin-4-ylethyl)octanamide?
The InChIKey is LWKVMSAOOAMSDR-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H41N3O3S/c1-2-3-4-5-9-14-27(32)30(16-15-29-17-19-34-20-18-29)24-28(33)31(23-26-13-10-21-35-26)22-25-11-7-6-8-12-25/h6-8,10-13,21H,2-5,9,14-20,22-24H2,1H3.
What are the key properties of N-[2-[benzyl(thiophen-2-ylmethyl)amino]-2-oxoethyl]-N-(2-morpholin-4-ylethyl)octanamide?
N-[2-[benzyl(thiophen-2-ylmethyl)amino]-2-oxoethyl]-N-(2-morpholin-4-ylethyl)octanamide has a molecular weight of 499.72 g/mol, XLogP of 4.80, 15 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[benzyl(thiophen-2-ylmethyl)amino]-2-oxoethyl]-N-(2-morpholin-4-ylethyl)octanamide is sourced from PubChem (CID 3897940), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).