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

C21H27N3O3 — CID 3548187

IUPACN-benzyl-2-[dimethylcarbamoyl(prop-2-enyl)amino]-N-[(5-methylfuran-2-yl)methyl]acetamide
SMILESC=CCN(CC(=O)N(Cc1ccccc1)Cc1ccc(C)o1)C(=O)N(C)C
InChIInChI=1S/C21H27N3O3/c1-5-13-23(21(26)22(3)4)16-20(25)24(14-18-9-7-6-8-10-18)15-19-12-11-17(2)27-19/h5-12H,1,13-16H2,2-4H3
InChIKeyOIWWSNFGMGNBPV-UHFFFAOYSA-N
MW369.47 g/mol
LogP3.29
Rot. Bonds8

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

N-benzyl-2-[dimethylcarbamoyl(prop-2-enyl)amino]-N-[(5-methylfuran-2-yl)methyl]acetamide (PubChem CID 3548187) has the molecular formula C21H27N3O3 and a molecular weight of 369.47 g/mol. Its IUPAC name is N-benzyl-2-[dimethylcarbamoyl(prop-2-enyl)amino]-N-[(5-methylfuran-2-yl)methyl]acetamide.

Molecular Properties

Compound NameN-benzyl-2-[dimethylcarbamoyl(prop-2-enyl)amino]-N-[(5-methylfuran-2-yl)methyl]acetamide
PubChem CID3548187
Molecular FormulaC21H27N3O3
Molecular Weight369.47 g/mol
Exact Mass369.21
IUPAC NameN-benzyl-2-[dimethylcarbamoyl(prop-2-enyl)amino]-N-[(5-methylfuran-2-yl)methyl]acetamide
SMILESC=CCN(CC(=O)N(Cc1ccccc1)Cc1ccc(C)o1)C(=O)N(C)C
InChIInChI=1S/C21H27N3O3/c1-5-13-23(21(26)22(3)4)16-20(25)24(14-18-9-7-6-8-10-18)15-19-12-11-17(2)27-19/h5-12H,1,13-16H2,2-4H3
InChIKeyOIWWSNFGMGNBPV-UHFFFAOYSA-N
XLogP3.29
TPSA57.00 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.47
LogP ≤ 53.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-[2-[benzyl-[(5-methylfuran-2-yl)methyl]amino]-2-oxoethyl]-N-prop-2-enylpropanamide
CID 5155914
N-[2-[benzyl-[(5-methylfuran-2-yl)methyl]amino]-2-oxoethyl]-N-prop-2-enylcyclopropanecarboxamide
CID 4289010
N-benzyl-2-[benzylcarbamoyl(prop-2-enyl)amino]-N-[(5-methylfuran-2-yl)methyl]acetamide
CID 5021941
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-propylpropanamide
CID 4252253
N-benzyl-N-[(5-methylfuran-2-yl)methyl]-2-[(4-nitrophenyl)sulfonyl-prop-2-enylamino]acetamide
CID 4006078
N-(1,3-benzodioxol-5-ylmethyl)-N-[(5-methylfuran-2-yl)methyl]-2-[(2-phenoxyacetyl)-prop-2-enylamino]acetamide
CID 42772924
N-benzyl-2-[(2-methoxyacetyl)-(2-methylpropyl)amino]-N-[(5-methylfuran-2-yl)methyl]acetamide
CID 4082449
2-[benzyl(methyl)amino]-N,N-bis(prop-2-enyl)acetamide
CID 54808897
N-benzyl-N-[(5-methylfuran-2-yl)methyl]furan-2-carboxamide
CID 42773295
N-benzyl-N-[(5-methylfuran-2-yl)methyl]-2-[2-methylpropyl(phenylcarbamoyl)amino]acetamide
CID 3572087
N-[2-[benzyl-[(5-methylfuran-2-yl)methyl]amino]-2-oxoethyl]-N-propylcyclopentanecarboxamide
CID 5016754

Frequently Asked Questions

What is the IUPAC name of N-benzyl-2-[dimethylcarbamoyl(prop-2-enyl)amino]-N-[(5-methylfuran-2-yl)methyl]acetamide?
The IUPAC name of N-benzyl-2-[dimethylcarbamoyl(prop-2-enyl)amino]-N-[(5-methylfuran-2-yl)methyl]acetamide (CID 3548187) is N-benzyl-2-[dimethylcarbamoyl(prop-2-enyl)amino]-N-[(5-methylfuran-2-yl)methyl]acetamide.
What is the SMILES notation for N-benzyl-2-[dimethylcarbamoyl(prop-2-enyl)amino]-N-[(5-methylfuran-2-yl)methyl]acetamide?
The canonical SMILES for N-benzyl-2-[dimethylcarbamoyl(prop-2-enyl)amino]-N-[(5-methylfuran-2-yl)methyl]acetamide is C=CCN(CC(=O)N(Cc1ccccc1)Cc1ccc(C)o1)C(=O)N(C)C.
What is the InChIKey of N-benzyl-2-[dimethylcarbamoyl(prop-2-enyl)amino]-N-[(5-methylfuran-2-yl)methyl]acetamide?
The InChIKey is OIWWSNFGMGNBPV-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H27N3O3/c1-5-13-23(21(26)22(3)4)16-20(25)24(14-18-9-7-6-8-10-18)15-19-12-11-17(2)27-19/h5-12H,1,13-16H2,2-4H3.
What are the key properties of N-benzyl-2-[dimethylcarbamoyl(prop-2-enyl)amino]-N-[(5-methylfuran-2-yl)methyl]acetamide?
N-benzyl-2-[dimethylcarbamoyl(prop-2-enyl)amino]-N-[(5-methylfuran-2-yl)methyl]acetamide has a molecular weight of 369.47 g/mol, XLogP of 3.29, 8 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-2-[dimethylcarbamoyl(prop-2-enyl)amino]-N-[(5-methylfuran-2-yl)methyl]acetamide is sourced from PubChem (CID 3548187), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).