N-(2-amino-1-cyclopentylethyl)-2-[(1-methylimidazol-2-yl)methoxy]acetamide;2,2,2-trifluoroacetic acid

C16H25F3N4O4 — CID 167787338

IUPACN-(2-amino-1-cyclopentylethyl)-2-[(1-methylimidazol-2-yl)methoxy]acetamide;2,2,2-trifluoroacetic acid
SMILESCn1ccnc1COCC(=O)NC(CN)C1CCCC1.O=C(O)C(F)(F)F
InChIInChI=1S/C14H24N4O2.C2HF3O2/c1-18-7-6-16-13(18)9-20-10-14(19)17-12(8-15)11-4-2-3-5-11;3-2(4,5)1(6)7/h6-7,11-12H,2-5,8-10,15H2,1H3,(H,17,19);(H,6,7)
InChIKeySATBBYVKZVVGLC-UHFFFAOYSA-N
MW394.39 g/mol
LogP1.20
Rot. Bonds7

About N-(2-amino-1-cyclopentylethyl)-2-[(1-methylimidazol-2-yl)methoxy]acetamide;2,2,2-trifluoroacetic acid

N-(2-amino-1-cyclopentylethyl)-2-[(1-methylimidazol-2-yl)methoxy]acetamide;2,2,2-trifluoroacetic acid (PubChem CID 167787338) has the molecular formula C16H25F3N4O4 and a molecular weight of 394.39 g/mol. Its IUPAC name is N-(2-amino-1-cyclopentylethyl)-2-[(1-methylimidazol-2-yl)methoxy]acetamide;2,2,2-trifluoroacetic acid.

Molecular Properties

Compound NameN-(2-amino-1-cyclopentylethyl)-2-[(1-methylimidazol-2-yl)methoxy]acetamide;2,2,2-trifluoroacetic acid
PubChem CID167787338
Molecular FormulaC16H25F3N4O4
Molecular Weight394.39 g/mol
Exact Mass394.18
IUPAC NameN-(2-amino-1-cyclopentylethyl)-2-[(1-methylimidazol-2-yl)methoxy]acetamide;2,2,2-trifluoroacetic acid
SMILESCn1ccnc1COCC(=O)NC(CN)C1CCCC1.O=C(O)C(F)(F)F
InChIInChI=1S/C14H24N4O2.C2HF3O2/c1-18-7-6-16-13(18)9-20-10-14(19)17-12(8-15)11-4-2-3-5-11;3-2(4,5)1(6)7/h6-7,11-12H,2-5,8-10,15H2,1H3,(H,17,19);(H,6,7)
InChIKeySATBBYVKZVVGLC-UHFFFAOYSA-N
XLogP1.20
TPSA119.47 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.39
LogP ≤ 51.20
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-(2-amino-1-cyclopentylethyl)-2-[(1-methylimidazol-2-yl)methoxy]acetamide;2,2,2-trifluoroacetic acid?
The IUPAC name of N-(2-amino-1-cyclopentylethyl)-2-[(1-methylimidazol-2-yl)methoxy]acetamide;2,2,2-trifluoroacetic acid (CID 167787338) is N-(2-amino-1-cyclopentylethyl)-2-[(1-methylimidazol-2-yl)methoxy]acetamide;2,2,2-trifluoroacetic acid.
What is the SMILES notation for N-(2-amino-1-cyclopentylethyl)-2-[(1-methylimidazol-2-yl)methoxy]acetamide;2,2,2-trifluoroacetic acid?
The canonical SMILES for N-(2-amino-1-cyclopentylethyl)-2-[(1-methylimidazol-2-yl)methoxy]acetamide;2,2,2-trifluoroacetic acid is Cn1ccnc1COCC(=O)NC(CN)C1CCCC1.O=C(O)C(F)(F)F.
What is the InChIKey of N-(2-amino-1-cyclopentylethyl)-2-[(1-methylimidazol-2-yl)methoxy]acetamide;2,2,2-trifluoroacetic acid?
The InChIKey is SATBBYVKZVVGLC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N4O2.C2HF3O2/c1-18-7-6-16-13(18)9-20-10-14(19)17-12(8-15)11-4-2-3-5-11;3-2(4,5)1(6)7/h6-7,11-12H,2-5,8-10,15H2,1H3,(H,17,19);(H,6,7).
What are the key properties of N-(2-amino-1-cyclopentylethyl)-2-[(1-methylimidazol-2-yl)methoxy]acetamide;2,2,2-trifluoroacetic acid?
N-(2-amino-1-cyclopentylethyl)-2-[(1-methylimidazol-2-yl)methoxy]acetamide;2,2,2-trifluoroacetic acid has a molecular weight of 394.39 g/mol, XLogP of 1.20, 7 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-amino-1-cyclopentylethyl)-2-[(1-methylimidazol-2-yl)methoxy]acetamide;2,2,2-trifluoroacetic acid is sourced from PubChem (CID 167787338), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).