N-[2-[benzyl(furan-2-ylmethyl)amino]-2-oxoethyl]-N-prop-2-enylcyclobutanecarboxamide

C22H26N2O3 — CID 4611642

IUPACN-[2-[benzyl(furan-2-ylmethyl)amino]-2-oxoethyl]-N-prop-2-enylcyclobutanecarboxamide
SMILESC=CCN(CC(=O)N(Cc1ccccc1)Cc1ccco1)C(=O)C1CCC1
InChIInChI=1S/C22H26N2O3/c1-2-13-23(22(26)19-10-6-11-19)17-21(25)24(16-20-12-7-14-27-20)15-18-8-4-3-5-9-18/h2-5,7-9,12,14,19H,1,6,10-11,13,15-17H2
InChIKeyWPCWYVPJIPNULE-UHFFFAOYSA-N
MW366.46 g/mol
LogP3.62
Rot. Bonds9

About N-[2-[benzyl(furan-2-ylmethyl)amino]-2-oxoethyl]-N-prop-2-enylcyclobutanecarboxamide

N-[2-[benzyl(furan-2-ylmethyl)amino]-2-oxoethyl]-N-prop-2-enylcyclobutanecarboxamide (PubChem CID 4611642) has the molecular formula C22H26N2O3 and a molecular weight of 366.46 g/mol. Its IUPAC name is N-[2-[benzyl(furan-2-ylmethyl)amino]-2-oxoethyl]-N-prop-2-enylcyclobutanecarboxamide.

Molecular Properties

Compound NameN-[2-[benzyl(furan-2-ylmethyl)amino]-2-oxoethyl]-N-prop-2-enylcyclobutanecarboxamide
PubChem CID4611642
Molecular FormulaC22H26N2O3
Molecular Weight366.46 g/mol
Exact Mass366.19
IUPAC NameN-[2-[benzyl(furan-2-ylmethyl)amino]-2-oxoethyl]-N-prop-2-enylcyclobutanecarboxamide
SMILESC=CCN(CC(=O)N(Cc1ccccc1)Cc1ccco1)C(=O)C1CCC1
InChIInChI=1S/C22H26N2O3/c1-2-13-23(22(26)19-10-6-11-19)17-21(25)24(16-20-12-7-14-27-20)15-18-8-4-3-5-9-18/h2-5,7-9,12,14,19H,1,6,10-11,13,15-17H2
InChIKeyWPCWYVPJIPNULE-UHFFFAOYSA-N
XLogP3.62
TPSA53.76 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.46
LogP ≤ 53.62
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-benzyl-N-(furan-2-ylmethyl)cyclopentanecarboxamide
CID 52894765
N-[2-[benzyl-[(5-methylfuran-2-yl)methyl]amino]-2-oxoethyl]-N-prop-2-enylcyclopropanecarboxamide
CID 4289010
N-[2-[benzyl(furan-2-ylmethyl)amino]-2-oxoethyl]-N-(oxolan-2-ylmethyl)cyclobutanecarboxamide
CID 3556620
N-[2-[benzyl(furan-2-ylmethyl)amino]-2-oxoethyl]-N-cyclopropylcyclopropanecarboxamide
CID 1058293
N-benzyl-N-(furan-2-ylmethyl)-2-[(2-phenylsulfanylacetyl)-prop-2-enylamino]acetamide
CID 3634552
N-[2-[benzyl(furan-2-ylmethyl)amino]-2-oxoethyl]-N-propan-2-ylcyclopentanecarboxamide
CID 3473537
N-[2-[benzyl(furan-2-ylmethyl)amino]-2-oxoethyl]-N-propan-2-ylcyclohexanecarboxamide
CID 4260122
N-benzyl-2-[cyclopentyl(furan-2-ylmethyl)amino]-N-(furan-2-ylmethyl)acetamide
CID 55827745
N-[2-[furan-2-ylmethyl(2-phenylethyl)amino]-2-oxoethyl]-N-(2-methoxyethyl)cyclobutanecarboxamide
CID 3924733
N-[2-[furan-2-ylmethyl(oxolan-2-ylmethyl)amino]-2-oxoethyl]-2-phenyl-N-prop-2-enylacetamide
CID 3943750
cis-(1S,3R)-N-benzyl-3-(dimethylamino)-N-(furan-2-ylmethyl)cyclohexane-1-carboxamide
CID 124738294
2-[acetyl(cyclopropyl)amino]-N-benzyl-N-(furan-2-ylmethyl)acetamide
CID 4281415

Frequently Asked Questions

What is the IUPAC name of N-[2-[benzyl(furan-2-ylmethyl)amino]-2-oxoethyl]-N-prop-2-enylcyclobutanecarboxamide?
The IUPAC name of N-[2-[benzyl(furan-2-ylmethyl)amino]-2-oxoethyl]-N-prop-2-enylcyclobutanecarboxamide (CID 4611642) is N-[2-[benzyl(furan-2-ylmethyl)amino]-2-oxoethyl]-N-prop-2-enylcyclobutanecarboxamide.
What is the SMILES notation for N-[2-[benzyl(furan-2-ylmethyl)amino]-2-oxoethyl]-N-prop-2-enylcyclobutanecarboxamide?
The canonical SMILES for N-[2-[benzyl(furan-2-ylmethyl)amino]-2-oxoethyl]-N-prop-2-enylcyclobutanecarboxamide is C=CCN(CC(=O)N(Cc1ccccc1)Cc1ccco1)C(=O)C1CCC1.
What is the InChIKey of N-[2-[benzyl(furan-2-ylmethyl)amino]-2-oxoethyl]-N-prop-2-enylcyclobutanecarboxamide?
The InChIKey is WPCWYVPJIPNULE-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26N2O3/c1-2-13-23(22(26)19-10-6-11-19)17-21(25)24(16-20-12-7-14-27-20)15-18-8-4-3-5-9-18/h2-5,7-9,12,14,19H,1,6,10-11,13,15-17H2.
What are the key properties of N-[2-[benzyl(furan-2-ylmethyl)amino]-2-oxoethyl]-N-prop-2-enylcyclobutanecarboxamide?
N-[2-[benzyl(furan-2-ylmethyl)amino]-2-oxoethyl]-N-prop-2-enylcyclobutanecarboxamide has a molecular weight of 366.46 g/mol, XLogP of 3.62, 9 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[benzyl(furan-2-ylmethyl)amino]-2-oxoethyl]-N-prop-2-enylcyclobutanecarboxamide is sourced from PubChem (CID 4611642), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).