2-(cyclopentylamino)-N-(3-ethoxypropyl)-N-(2,2,2-trifluoroethyl)acetamide

C14H25F3N2O2 — CID 60946792

IUPAC2-(cyclopentylamino)-N-(3-ethoxypropyl)-N-(2,2,2-trifluoroethyl)acetamide
SMILESCCOCCCN(CC(F)(F)F)C(=O)CNC1CCCC1
InChIInChI=1S/C14H25F3N2O2/c1-2-21-9-5-8-19(11-14(15,16)17)13(20)10-18-12-6-3-4-7-12/h12,18H,2-11H2,1H3
InChIKeyPCAMMXCIFWUQKD-UHFFFAOYSA-N
MW310.36 g/mol
LogP2.34
Rot. Bonds9

About 2-(cyclopentylamino)-N-(3-ethoxypropyl)-N-(2,2,2-trifluoroethyl)acetamide

2-(cyclopentylamino)-N-(3-ethoxypropyl)-N-(2,2,2-trifluoroethyl)acetamide (PubChem CID 60946792) has the molecular formula C14H25F3N2O2 and a molecular weight of 310.36 g/mol. Its IUPAC name is 2-(cyclopentylamino)-N-(3-ethoxypropyl)-N-(2,2,2-trifluoroethyl)acetamide.

Molecular Properties

Compound Name2-(cyclopentylamino)-N-(3-ethoxypropyl)-N-(2,2,2-trifluoroethyl)acetamide
PubChem CID60946792
Molecular FormulaC14H25F3N2O2
Molecular Weight310.36 g/mol
Exact Mass310.19
IUPAC Name2-(cyclopentylamino)-N-(3-ethoxypropyl)-N-(2,2,2-trifluoroethyl)acetamide
SMILESCCOCCCN(CC(F)(F)F)C(=O)CNC1CCCC1
InChIInChI=1S/C14H25F3N2O2/c1-2-21-9-5-8-19(11-14(15,16)17)13(20)10-18-12-6-3-4-7-12/h12,18H,2-11H2,1H3
InChIKeyPCAMMXCIFWUQKD-UHFFFAOYSA-N
XLogP2.34
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.36
LogP ≤ 52.34
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

2-[cyclopentyl(methyl)amino]-N-(3-methoxypropyl)-2-methylpropanamide
CID 71905472
ethyl N-[2-(cyclopentylamino)-2-oxoethyl]-N-methylcarbamate
CID 45826338
2-[cyclopentyl(propan-2-yl)amino]-N-(2,2,2-trifluoroethyl)acetamide
CID 56783908
2-[4-(2,2-difluoro-3-methoxypropyl)-2,6-dimethylpiperazin-1-yl]-N-propan-2-ylacetamide
CID 175626370
2-[4-(3-methoxypropyl)-3-(trifluoromethyl)piperazin-1-yl]-N-propan-2-ylacetamide
CID 175626407
2-[(3R)-4-(3-ethoxypropyl)-3-(trifluoromethyl)piperazin-1-yl]-N-propan-2-ylacetamide
CID 175626412
2-[(3S)-4-(3-methoxypropyl)-3-(trifluoromethyl)piperazin-1-yl]-N-propan-2-ylacetamide
CID 175626419
2-[(2R)-4-(3-ethoxypropyl)-2-(trifluoromethyl)piperazin-1-yl]-N-propan-2-ylacetamide
CID 175635960
Oxamide, N-cyclopentyl-N'-(3-methoxypropyl)-
CID 558387
cyclopentyl-dimethyl-[(2S)-1-oxo-1-(2,2,2-trifluoroethylamino)propan-2-yl]azanium
CID 8875910
cyclopentyl-dimethyl-[(2R)-1-oxo-1-(2,2,2-trifluoroethylamino)propan-2-yl]azanium
CID 8875912
N-cyclopentyl-2-(2,2,2-trifluoroethylamino)propanamide
CID 43089163

Frequently Asked Questions

What is the IUPAC name of 2-(cyclopentylamino)-N-(3-ethoxypropyl)-N-(2,2,2-trifluoroethyl)acetamide?
The IUPAC name of 2-(cyclopentylamino)-N-(3-ethoxypropyl)-N-(2,2,2-trifluoroethyl)acetamide (CID 60946792) is 2-(cyclopentylamino)-N-(3-ethoxypropyl)-N-(2,2,2-trifluoroethyl)acetamide.
What is the SMILES notation for 2-(cyclopentylamino)-N-(3-ethoxypropyl)-N-(2,2,2-trifluoroethyl)acetamide?
The canonical SMILES for 2-(cyclopentylamino)-N-(3-ethoxypropyl)-N-(2,2,2-trifluoroethyl)acetamide is CCOCCCN(CC(F)(F)F)C(=O)CNC1CCCC1.
What is the InChIKey of 2-(cyclopentylamino)-N-(3-ethoxypropyl)-N-(2,2,2-trifluoroethyl)acetamide?
The InChIKey is PCAMMXCIFWUQKD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25F3N2O2/c1-2-21-9-5-8-19(11-14(15,16)17)13(20)10-18-12-6-3-4-7-12/h12,18H,2-11H2,1H3.
What are the key properties of 2-(cyclopentylamino)-N-(3-ethoxypropyl)-N-(2,2,2-trifluoroethyl)acetamide?
2-(cyclopentylamino)-N-(3-ethoxypropyl)-N-(2,2,2-trifluoroethyl)acetamide has a molecular weight of 310.36 g/mol, XLogP of 2.34, 9 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(cyclopentylamino)-N-(3-ethoxypropyl)-N-(2,2,2-trifluoroethyl)acetamide is sourced from PubChem (CID 60946792), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).