N-(3-aminopropyl)-N-cyclopentyl-3-(2,2-difluoroethoxy)propanamide

C13H24F2N2O2 — CID 103205345

IUPACN-(3-aminopropyl)-N-cyclopentyl-3-(2,2-difluoroethoxy)propanamide
SMILESNCCCN(C(=O)CCOCC(F)F)C1CCCC1
InChIInChI=1S/C13H24F2N2O2/c14-12(15)10-19-9-6-13(18)17(8-3-7-16)11-4-1-2-5-11/h11-12H,1-10,16H2
InChIKeyISBJAPPHRACNQK-UHFFFAOYSA-N
MW278.34 g/mol
LogP1.78
Rot. Bonds9

About N-(3-aminopropyl)-N-cyclopentyl-3-(2,2-difluoroethoxy)propanamide

N-(3-aminopropyl)-N-cyclopentyl-3-(2,2-difluoroethoxy)propanamide (PubChem CID 103205345) has the molecular formula C13H24F2N2O2 and a molecular weight of 278.34 g/mol. Its IUPAC name is N-(3-aminopropyl)-N-cyclopentyl-3-(2,2-difluoroethoxy)propanamide.

Molecular Properties

Compound NameN-(3-aminopropyl)-N-cyclopentyl-3-(2,2-difluoroethoxy)propanamide
PubChem CID103205345
Molecular FormulaC13H24F2N2O2
Molecular Weight278.34 g/mol
Exact Mass278.18
IUPAC NameN-(3-aminopropyl)-N-cyclopentyl-3-(2,2-difluoroethoxy)propanamide
SMILESNCCCN(C(=O)CCOCC(F)F)C1CCCC1
InChIInChI=1S/C13H24F2N2O2/c14-12(15)10-19-9-6-13(18)17(8-3-7-16)11-4-1-2-5-11/h11-12H,1-10,16H2
InChIKeyISBJAPPHRACNQK-UHFFFAOYSA-N
XLogP1.78
TPSA55.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.34
LogP ≤ 51.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-(3-aminopropyl)-N-cyclopentyl-3,3,3-trifluoropropanamide
CID 43136818
N-(3-aminopropyl)-N-methyl-3-(2,2,2-trifluoroethoxy)propanamide
CID 43253977
N-cyclopentyl-3-(2,2,2-trifluoroethoxy)propanamide
CID 51077296
3-ethoxy-N-piperidin-4-yl-N-(2,2,2-trifluoroethyl)propanamide
CID 62588606
3-methoxy-N-piperidin-4-yl-N-(2,2,2-trifluoroethyl)propanamide
CID 62590040
N-piperidin-4-yl-3-propoxy-N-(2,2,2-trifluoroethyl)propanamide
CID 62715976
3-amino-N-(3-ethoxypropyl)-N-(2,2,2-trifluoroethyl)pentanamide
CID 81976103
N-(3-aminopropyl)-3-(2,2-difluoroethoxy)-N-methylpropanamide
CID 82005349
N-(3-aminopropyl)-N-methyl-3-(3,3,3-trifluoropropoxy)propanamide
CID 82953843
1-(4-Aminopiperidin-1-yl)-3-(2,2-difluoroethoxy)propan-1-one
CID 103205270
1-[4-(Ethylamino)piperidin-1-yl]-3-(2,2,2-trifluoroethoxy)propan-1-one
CID 103205271
3-(2,2-Difluoroethoxy)-1-[4-(ethylamino)piperidin-1-yl]propan-1-one
CID 103205272

Frequently Asked Questions

What is the IUPAC name of N-(3-aminopropyl)-N-cyclopentyl-3-(2,2-difluoroethoxy)propanamide?
The IUPAC name of N-(3-aminopropyl)-N-cyclopentyl-3-(2,2-difluoroethoxy)propanamide (CID 103205345) is N-(3-aminopropyl)-N-cyclopentyl-3-(2,2-difluoroethoxy)propanamide.
What is the SMILES notation for N-(3-aminopropyl)-N-cyclopentyl-3-(2,2-difluoroethoxy)propanamide?
The canonical SMILES for N-(3-aminopropyl)-N-cyclopentyl-3-(2,2-difluoroethoxy)propanamide is NCCCN(C(=O)CCOCC(F)F)C1CCCC1.
What is the InChIKey of N-(3-aminopropyl)-N-cyclopentyl-3-(2,2-difluoroethoxy)propanamide?
The InChIKey is ISBJAPPHRACNQK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24F2N2O2/c14-12(15)10-19-9-6-13(18)17(8-3-7-16)11-4-1-2-5-11/h11-12H,1-10,16H2.
What are the key properties of N-(3-aminopropyl)-N-cyclopentyl-3-(2,2-difluoroethoxy)propanamide?
N-(3-aminopropyl)-N-cyclopentyl-3-(2,2-difluoroethoxy)propanamide has a molecular weight of 278.34 g/mol, XLogP of 1.78, 9 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-aminopropyl)-N-cyclopentyl-3-(2,2-difluoroethoxy)propanamide is sourced from PubChem (CID 103205345), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).