2-(1-adamantyl)-N-[2-[4-(furan-2-ylmethylcarbamoylamino)anilino]-2-oxoethyl]acetamide

C26H32N4O4 — CID 29367404

IUPAC2-(1-adamantyl)-N-[2-[4-(furan-2-ylmethylcarbamoylamino)anilino]-2-oxoethyl]acetamide
SMILESO=C(CC12CC3CC(CC(C3)C1)C2)NCC(=O)Nc1ccc(NC(=O)NCc2ccco2)cc1
InChIInChI=1S/C26H32N4O4/c31-23(14-26-11-17-8-18(12-26)10-19(9-17)13-26)27-16-24(32)29-20-3-5-21(6-4-20)30-25(33)28-15-22-2-1-7-34-22/h1-7,17-19H,8-16H2,(H,27,31)(H,29,32)(H2,28,30,33)
InChIKeyHULSXDAFXGMDIR-UHFFFAOYSA-N
MW464.57 g/mol
LogP4.26
Rot. Bonds8

About 2-(1-adamantyl)-N-[2-[4-(furan-2-ylmethylcarbamoylamino)anilino]-2-oxoethyl]acetamide

2-(1-adamantyl)-N-[2-[4-(furan-2-ylmethylcarbamoylamino)anilino]-2-oxoethyl]acetamide (PubChem CID 29367404) has the molecular formula C26H32N4O4 and a molecular weight of 464.57 g/mol. Its IUPAC name is 2-(1-adamantyl)-N-[2-[4-(furan-2-ylmethylcarbamoylamino)anilino]-2-oxoethyl]acetamide.

Molecular Properties

Compound Name2-(1-adamantyl)-N-[2-[4-(furan-2-ylmethylcarbamoylamino)anilino]-2-oxoethyl]acetamide
PubChem CID29367404
Molecular FormulaC26H32N4O4
Molecular Weight464.57 g/mol
Exact Mass464.24
IUPAC Name2-(1-adamantyl)-N-[2-[4-(furan-2-ylmethylcarbamoylamino)anilino]-2-oxoethyl]acetamide
SMILESO=C(CC12CC3CC(CC(C3)C1)C2)NCC(=O)Nc1ccc(NC(=O)NCc2ccco2)cc1
InChIInChI=1S/C26H32N4O4/c31-23(14-26-11-17-8-18(12-26)10-19(9-17)13-26)27-16-24(32)29-20-3-5-21(6-4-20)30-25(33)28-15-22-2-1-7-34-22/h1-7,17-19H,8-16H2,(H,27,31)(H,29,32)(H2,28,30,33)
InChIKeyHULSXDAFXGMDIR-UHFFFAOYSA-N
XLogP4.26
TPSA112.47 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500464.57
LogP ≤ 54.26
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

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Related Compounds

N-[4-[[2-[[2-(1-adamantyl)acetyl]amino]acetyl]amino]phenyl]-2-methylpropanamide
CID 42123413
2-[4-[[2-[[2-(1-adamantyl)acetyl]amino]acetyl]amino]phenyl]-N-methylacetamide
CID 38404079
N-[2-[4-(furan-2-ylmethylcarbamoylamino)anilino]-2-oxoethyl]-3-methylbenzamide
CID 134050575
2-(1-adamantyl)-N-[2-(2,3-dihydro-1,4-benzodioxin-6-ylamino)-2-oxoethyl]acetamide
CID 35808688
2-(1-adamantyl)-N-[(5-methylfuran-2-yl)methyl]acetamide
CID 131949848
2-(4-fluorophenyl)-N-[4-(furan-2-ylmethylcarbamoylamino)phenyl]acetamide
CID 35335065
N-[4-(furan-2-ylmethylcarbamoylamino)phenyl]cyclohexanecarboxamide
CID 35334881
2-(1-adamantyl)-N-[2-(3-bromoanilino)-2-oxoethyl]acetamide
CID 9341253
2-(3,5-dimethyl-1,2-oxazol-4-yl)-N-[4-(furan-2-ylmethylcarbamoylamino)phenyl]acetamide
CID 35337246
N-[2-(furan-2-ylmethylamino)-2-oxoethyl]-2-(1-hydroxycyclopentyl)acetamide
CID 111430660
2-[(3,4-dichlorophenyl)carbamoylamino]-N-(furan-2-ylmethyl)acetamide
CID 18101847
(2R)-2-acetamido-N-[4-(furan-2-ylmethylcarbamoylamino)phenyl]propanamide
CID 29367214

Frequently Asked Questions

What is the IUPAC name of 2-(1-adamantyl)-N-[2-[4-(furan-2-ylmethylcarbamoylamino)anilino]-2-oxoethyl]acetamide?
The IUPAC name of 2-(1-adamantyl)-N-[2-[4-(furan-2-ylmethylcarbamoylamino)anilino]-2-oxoethyl]acetamide (CID 29367404) is 2-(1-adamantyl)-N-[2-[4-(furan-2-ylmethylcarbamoylamino)anilino]-2-oxoethyl]acetamide.
What is the SMILES notation for 2-(1-adamantyl)-N-[2-[4-(furan-2-ylmethylcarbamoylamino)anilino]-2-oxoethyl]acetamide?
The canonical SMILES for 2-(1-adamantyl)-N-[2-[4-(furan-2-ylmethylcarbamoylamino)anilino]-2-oxoethyl]acetamide is O=C(CC12CC3CC(CC(C3)C1)C2)NCC(=O)Nc1ccc(NC(=O)NCc2ccco2)cc1.
What is the InChIKey of 2-(1-adamantyl)-N-[2-[4-(furan-2-ylmethylcarbamoylamino)anilino]-2-oxoethyl]acetamide?
The InChIKey is HULSXDAFXGMDIR-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H32N4O4/c31-23(14-26-11-17-8-18(12-26)10-19(9-17)13-26)27-16-24(32)29-20-3-5-21(6-4-20)30-25(33)28-15-22-2-1-7-34-22/h1-7,17-19H,8-16H2,(H,27,31)(H,29,32)(H2,28,30,33).
What are the key properties of 2-(1-adamantyl)-N-[2-[4-(furan-2-ylmethylcarbamoylamino)anilino]-2-oxoethyl]acetamide?
2-(1-adamantyl)-N-[2-[4-(furan-2-ylmethylcarbamoylamino)anilino]-2-oxoethyl]acetamide has a molecular weight of 464.57 g/mol, XLogP of 4.26, 8 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-adamantyl)-N-[2-[4-(furan-2-ylmethylcarbamoylamino)anilino]-2-oxoethyl]acetamide is sourced from PubChem (CID 29367404), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).