N-benzyl-2-[benzylcarbamoyl(prop-2-enyl)amino]-N-[(5-methylfuran-2-yl)methyl]acetamide

C26H29N3O3 — CID 5021941

IUPACN-benzyl-2-[benzylcarbamoyl(prop-2-enyl)amino]-N-[(5-methylfuran-2-yl)methyl]acetamide
SMILESC=CCN(CC(=O)N(Cc1ccccc1)Cc1ccc(C)o1)C(=O)NCc1ccccc1
InChIInChI=1S/C26H29N3O3/c1-3-16-28(26(31)27-17-22-10-6-4-7-11-22)20-25(30)29(18-23-12-8-5-9-13-23)19-24-15-14-21(2)32-24/h3-15H,1,16-20H2,2H3,(H,27,31)
InChIKeySHFAMRXKHVYHIZ-UHFFFAOYSA-N
MW431.54 g/mol
LogP4.51
Rot. Bonds10

About N-benzyl-2-[benzylcarbamoyl(prop-2-enyl)amino]-N-[(5-methylfuran-2-yl)methyl]acetamide

N-benzyl-2-[benzylcarbamoyl(prop-2-enyl)amino]-N-[(5-methylfuran-2-yl)methyl]acetamide (PubChem CID 5021941) has the molecular formula C26H29N3O3 and a molecular weight of 431.54 g/mol. Its IUPAC name is N-benzyl-2-[benzylcarbamoyl(prop-2-enyl)amino]-N-[(5-methylfuran-2-yl)methyl]acetamide.

Molecular Properties

Compound NameN-benzyl-2-[benzylcarbamoyl(prop-2-enyl)amino]-N-[(5-methylfuran-2-yl)methyl]acetamide
PubChem CID5021941
Molecular FormulaC26H29N3O3
Molecular Weight431.54 g/mol
Exact Mass431.22
IUPAC NameN-benzyl-2-[benzylcarbamoyl(prop-2-enyl)amino]-N-[(5-methylfuran-2-yl)methyl]acetamide
SMILESC=CCN(CC(=O)N(Cc1ccccc1)Cc1ccc(C)o1)C(=O)NCc1ccccc1
InChIInChI=1S/C26H29N3O3/c1-3-16-28(26(31)27-17-22-10-6-4-7-11-22)20-25(30)29(18-23-12-8-5-9-13-23)19-24-15-14-21(2)32-24/h3-15H,1,16-20H2,2H3,(H,27,31)
InChIKeySHFAMRXKHVYHIZ-UHFFFAOYSA-N
XLogP4.51
TPSA65.79 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500431.54
LogP ≤ 54.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze N-benzyl-2-[benzylcarbamoyl(prop-2-enyl)amino]-N-[(5-methylfuran-2-yl)methyl]acetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[2-[benzyl-[(5-methylfuran-2-yl)methyl]amino]-2-oxoethyl]-N-prop-2-enylpropanamide
CID 5155914
N-benzyl-2-[dimethylcarbamoyl(prop-2-enyl)amino]-N-[(5-methylfuran-2-yl)methyl]acetamide
CID 3548187
N-benzyl-2-[(2,6-dichlorophenyl)carbamoyl-prop-2-enylamino]-N-[(5-methylfuran-2-yl)methyl]acetamide
CID 4661077
N-[2-[benzyl-[(5-methylfuran-2-yl)methyl]amino]-2-oxoethyl]-N-prop-2-enylcyclopropanecarboxamide
CID 4289010
N-[2-[benzyl-[(5-methylfuran-2-yl)methyl]amino]-2-oxoethyl]-N-propylpropanamide
CID 4252253
N-benzyl-N-[(5-methylfuran-2-yl)methyl]-2-[(4-nitrophenyl)sulfonyl-prop-2-enylamino]acetamide
CID 4006078
N-benzyl-N-[(5-methylfuran-2-yl)methyl]-2-[2-methylpropyl(phenylcarbamoyl)amino]acetamide
CID 3572087
N-[2-(3,4-dimethoxyphenyl)ethyl]-2-[ethylcarbamoyl(prop-2-enyl)amino]-N-[(5-methylfuran-2-yl)methyl]acetamide
CID 3436887
N-benzyl-2-[(4-ethoxyphenyl)carbamoyl-prop-2-enylamino]-N-(furan-2-ylmethyl)acetamide
CID 3928097
N-benzyl-N-[(5-methylfuran-2-yl)methyl]furan-2-carboxamide
CID 42773295
N-(1,3-benzodioxol-5-ylmethyl)-N-[(5-methylfuran-2-yl)methyl]-2-[(2-phenoxyacetyl)-prop-2-enylamino]acetamide
CID 42772924
N-[2-[benzyl-[(5-methylfuran-2-yl)methyl]amino]-2-oxoethyl]-4-ethyl-N-(2-methylpropyl)benzamide
CID 3670156

Frequently Asked Questions

What is the IUPAC name of N-benzyl-2-[benzylcarbamoyl(prop-2-enyl)amino]-N-[(5-methylfuran-2-yl)methyl]acetamide?
The IUPAC name of N-benzyl-2-[benzylcarbamoyl(prop-2-enyl)amino]-N-[(5-methylfuran-2-yl)methyl]acetamide (CID 5021941) is N-benzyl-2-[benzylcarbamoyl(prop-2-enyl)amino]-N-[(5-methylfuran-2-yl)methyl]acetamide.
What is the SMILES notation for N-benzyl-2-[benzylcarbamoyl(prop-2-enyl)amino]-N-[(5-methylfuran-2-yl)methyl]acetamide?
The canonical SMILES for N-benzyl-2-[benzylcarbamoyl(prop-2-enyl)amino]-N-[(5-methylfuran-2-yl)methyl]acetamide is C=CCN(CC(=O)N(Cc1ccccc1)Cc1ccc(C)o1)C(=O)NCc1ccccc1.
What is the InChIKey of N-benzyl-2-[benzylcarbamoyl(prop-2-enyl)amino]-N-[(5-methylfuran-2-yl)methyl]acetamide?
The InChIKey is SHFAMRXKHVYHIZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H29N3O3/c1-3-16-28(26(31)27-17-22-10-6-4-7-11-22)20-25(30)29(18-23-12-8-5-9-13-23)19-24-15-14-21(2)32-24/h3-15H,1,16-20H2,2H3,(H,27,31).
What are the key properties of N-benzyl-2-[benzylcarbamoyl(prop-2-enyl)amino]-N-[(5-methylfuran-2-yl)methyl]acetamide?
N-benzyl-2-[benzylcarbamoyl(prop-2-enyl)amino]-N-[(5-methylfuran-2-yl)methyl]acetamide has a molecular weight of 431.54 g/mol, XLogP of 4.51, 10 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-2-[benzylcarbamoyl(prop-2-enyl)amino]-N-[(5-methylfuran-2-yl)methyl]acetamide is sourced from PubChem (CID 5021941), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).