N-cyclopropyl-2-[(2-hydroxycyclopentyl)methyl-methylamino]-N-[(5-methylfuran-2-yl)methyl]acetamide

C18H28N2O3 — CID 109397861

IUPACN-cyclopropyl-2-[(2-hydroxycyclopentyl)methyl-methylamino]-N-[(5-methylfuran-2-yl)methyl]acetamide
SMILESCc1ccc(CN(C(=O)CN(C)CC2CCCC2O)C2CC2)o1
InChIInChI=1S/C18H28N2O3/c1-13-6-9-16(23-13)11-20(15-7-8-15)18(22)12-19(2)10-14-4-3-5-17(14)21/h6,9,14-15,17,21H,3-5,7-8,10-12H2,1-2H3
InChIKeyXEIXVYSNXZXZBA-UHFFFAOYSA-N
MW320.43 g/mol
LogP2.17
Rot. Bonds7

About N-cyclopropyl-2-[(2-hydroxycyclopentyl)methyl-methylamino]-N-[(5-methylfuran-2-yl)methyl]acetamide

N-cyclopropyl-2-[(2-hydroxycyclopentyl)methyl-methylamino]-N-[(5-methylfuran-2-yl)methyl]acetamide (PubChem CID 109397861) has the molecular formula C18H28N2O3 and a molecular weight of 320.43 g/mol. Its IUPAC name is N-cyclopropyl-2-[(2-hydroxycyclopentyl)methyl-methylamino]-N-[(5-methylfuran-2-yl)methyl]acetamide.

Molecular Properties

Compound NameN-cyclopropyl-2-[(2-hydroxycyclopentyl)methyl-methylamino]-N-[(5-methylfuran-2-yl)methyl]acetamide
PubChem CID109397861
Molecular FormulaC18H28N2O3
Molecular Weight320.43 g/mol
Exact Mass320.21
IUPAC NameN-cyclopropyl-2-[(2-hydroxycyclopentyl)methyl-methylamino]-N-[(5-methylfuran-2-yl)methyl]acetamide
SMILESCc1ccc(CN(C(=O)CN(C)CC2CCCC2O)C2CC2)o1
InChIInChI=1S/C18H28N2O3/c1-13-6-9-16(23-13)11-20(15-7-8-15)18(22)12-19(2)10-14-4-3-5-17(14)21/h6,9,14-15,17,21H,3-5,7-8,10-12H2,1-2H3
InChIKeyXEIXVYSNXZXZBA-UHFFFAOYSA-N
XLogP2.17
TPSA56.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.43
LogP ≤ 52.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-2-[(2-hydroxycyclopentyl)methyl-methylamino]-N-[(5-methylfuran-2-yl)methyl]acetamide?
The IUPAC name of N-cyclopropyl-2-[(2-hydroxycyclopentyl)methyl-methylamino]-N-[(5-methylfuran-2-yl)methyl]acetamide (CID 109397861) is N-cyclopropyl-2-[(2-hydroxycyclopentyl)methyl-methylamino]-N-[(5-methylfuran-2-yl)methyl]acetamide.
What is the SMILES notation for N-cyclopropyl-2-[(2-hydroxycyclopentyl)methyl-methylamino]-N-[(5-methylfuran-2-yl)methyl]acetamide?
The canonical SMILES for N-cyclopropyl-2-[(2-hydroxycyclopentyl)methyl-methylamino]-N-[(5-methylfuran-2-yl)methyl]acetamide is Cc1ccc(CN(C(=O)CN(C)CC2CCCC2O)C2CC2)o1.
What is the InChIKey of N-cyclopropyl-2-[(2-hydroxycyclopentyl)methyl-methylamino]-N-[(5-methylfuran-2-yl)methyl]acetamide?
The InChIKey is XEIXVYSNXZXZBA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H28N2O3/c1-13-6-9-16(23-13)11-20(15-7-8-15)18(22)12-19(2)10-14-4-3-5-17(14)21/h6,9,14-15,17,21H,3-5,7-8,10-12H2,1-2H3.
What are the key properties of N-cyclopropyl-2-[(2-hydroxycyclopentyl)methyl-methylamino]-N-[(5-methylfuran-2-yl)methyl]acetamide?
N-cyclopropyl-2-[(2-hydroxycyclopentyl)methyl-methylamino]-N-[(5-methylfuran-2-yl)methyl]acetamide has a molecular weight of 320.43 g/mol, XLogP of 2.17, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-2-[(2-hydroxycyclopentyl)methyl-methylamino]-N-[(5-methylfuran-2-yl)methyl]acetamide is sourced from PubChem (CID 109397861), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).