N-(2-cyanopropyl)-N-ethyl-2-[(2-hydroxycyclopentyl)methyl-methylamino]acetamide

C15H27N3O2 — CID 109398219

IUPACN-(2-cyanopropyl)-N-ethyl-2-[(2-hydroxycyclopentyl)methyl-methylamino]acetamide
SMILESCCN(CC(C)C#N)C(=O)CN(C)CC1CCCC1O
InChIInChI=1S/C15H27N3O2/c1-4-18(9-12(2)8-16)15(20)11-17(3)10-13-6-5-7-14(13)19/h12-14,19H,4-7,9-11H2,1-3H3
InChIKeyVLRULRBWOIAFQR-UHFFFAOYSA-N
MW281.40 g/mol
LogP1.09
Rot. Bonds7

About N-(2-cyanopropyl)-N-ethyl-2-[(2-hydroxycyclopentyl)methyl-methylamino]acetamide

N-(2-cyanopropyl)-N-ethyl-2-[(2-hydroxycyclopentyl)methyl-methylamino]acetamide (PubChem CID 109398219) has the molecular formula C15H27N3O2 and a molecular weight of 281.40 g/mol. Its IUPAC name is N-(2-cyanopropyl)-N-ethyl-2-[(2-hydroxycyclopentyl)methyl-methylamino]acetamide.

Molecular Properties

Compound NameN-(2-cyanopropyl)-N-ethyl-2-[(2-hydroxycyclopentyl)methyl-methylamino]acetamide
PubChem CID109398219
Molecular FormulaC15H27N3O2
Molecular Weight281.40 g/mol
Exact Mass281.21
IUPAC NameN-(2-cyanopropyl)-N-ethyl-2-[(2-hydroxycyclopentyl)methyl-methylamino]acetamide
SMILESCCN(CC(C)C#N)C(=O)CN(C)CC1CCCC1O
InChIInChI=1S/C15H27N3O2/c1-4-18(9-12(2)8-16)15(20)11-17(3)10-13-6-5-7-14(13)19/h12-14,19H,4-7,9-11H2,1-3H3
InChIKeyVLRULRBWOIAFQR-UHFFFAOYSA-N
XLogP1.09
TPSA67.57 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.40
LogP ≤ 51.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(2-cyanopropyl)-N-ethyl-2-[(2-hydroxycyclopentyl)methyl-methylamino]acetamide?
The IUPAC name of N-(2-cyanopropyl)-N-ethyl-2-[(2-hydroxycyclopentyl)methyl-methylamino]acetamide (CID 109398219) is N-(2-cyanopropyl)-N-ethyl-2-[(2-hydroxycyclopentyl)methyl-methylamino]acetamide.
What is the SMILES notation for N-(2-cyanopropyl)-N-ethyl-2-[(2-hydroxycyclopentyl)methyl-methylamino]acetamide?
The canonical SMILES for N-(2-cyanopropyl)-N-ethyl-2-[(2-hydroxycyclopentyl)methyl-methylamino]acetamide is CCN(CC(C)C#N)C(=O)CN(C)CC1CCCC1O.
What is the InChIKey of N-(2-cyanopropyl)-N-ethyl-2-[(2-hydroxycyclopentyl)methyl-methylamino]acetamide?
The InChIKey is VLRULRBWOIAFQR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H27N3O2/c1-4-18(9-12(2)8-16)15(20)11-17(3)10-13-6-5-7-14(13)19/h12-14,19H,4-7,9-11H2,1-3H3.
What are the key properties of N-(2-cyanopropyl)-N-ethyl-2-[(2-hydroxycyclopentyl)methyl-methylamino]acetamide?
N-(2-cyanopropyl)-N-ethyl-2-[(2-hydroxycyclopentyl)methyl-methylamino]acetamide has a molecular weight of 281.40 g/mol, XLogP of 1.09, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-cyanopropyl)-N-ethyl-2-[(2-hydroxycyclopentyl)methyl-methylamino]acetamide is sourced from PubChem (CID 109398219), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).