2-amino-N-[1-(4-phenylcyclohexyl)azetidin-3-yl]acetamide;2,2,2-trifluoroacetic acid

C19H26F3N3O3 — CID 86646681

IUPAC2-amino-N-[1-(4-phenylcyclohexyl)azetidin-3-yl]acetamide;2,2,2-trifluoroacetic acid
SMILESNCC(=O)NC1CN(C2CCC(c3ccccc3)CC2)C1.O=C(O)C(F)(F)F
InChIInChI=1S/C17H25N3O.C2HF3O2/c18-10-17(21)19-15-11-20(12-15)16-8-6-14(7-9-16)13-4-2-1-3-5-13;3-2(4,5)1(6)7/h1-5,14-16H,6-12,18H2,(H,19,21);(H,6,7)
InChIKeyHAOMMOADBFFMSN-UHFFFAOYSA-N
MW401.43 g/mol
LogP2.11
Rot. Bonds4

About 2-amino-N-[1-(4-phenylcyclohexyl)azetidin-3-yl]acetamide;2,2,2-trifluoroacetic acid

2-amino-N-[1-(4-phenylcyclohexyl)azetidin-3-yl]acetamide;2,2,2-trifluoroacetic acid (PubChem CID 86646681) has the molecular formula C19H26F3N3O3 and a molecular weight of 401.43 g/mol. Its IUPAC name is 2-amino-N-[1-(4-phenylcyclohexyl)azetidin-3-yl]acetamide;2,2,2-trifluoroacetic acid.

Molecular Properties

Compound Name2-amino-N-[1-(4-phenylcyclohexyl)azetidin-3-yl]acetamide;2,2,2-trifluoroacetic acid
PubChem CID86646681
Molecular FormulaC19H26F3N3O3
Molecular Weight401.43 g/mol
Exact Mass401.19
IUPAC Name2-amino-N-[1-(4-phenylcyclohexyl)azetidin-3-yl]acetamide;2,2,2-trifluoroacetic acid
SMILESNCC(=O)NC1CN(C2CCC(c3ccccc3)CC2)C1.O=C(O)C(F)(F)F
InChIInChI=1S/C17H25N3O.C2HF3O2/c18-10-17(21)19-15-11-20(12-15)16-8-6-14(7-9-16)13-4-2-1-3-5-13;3-2(4,5)1(6)7/h1-5,14-16H,6-12,18H2,(H,19,21);(H,6,7)
InChIKeyHAOMMOADBFFMSN-UHFFFAOYSA-N
XLogP2.11
TPSA95.66 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500401.43
LogP ≤ 52.11
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-amino-N-[1-(4-phenylcyclohexyl)azetidin-3-yl]acetamide;2,2,2-trifluoroacetic acid?
The IUPAC name of 2-amino-N-[1-(4-phenylcyclohexyl)azetidin-3-yl]acetamide;2,2,2-trifluoroacetic acid (CID 86646681) is 2-amino-N-[1-(4-phenylcyclohexyl)azetidin-3-yl]acetamide;2,2,2-trifluoroacetic acid.
What is the SMILES notation for 2-amino-N-[1-(4-phenylcyclohexyl)azetidin-3-yl]acetamide;2,2,2-trifluoroacetic acid?
The canonical SMILES for 2-amino-N-[1-(4-phenylcyclohexyl)azetidin-3-yl]acetamide;2,2,2-trifluoroacetic acid is NCC(=O)NC1CN(C2CCC(c3ccccc3)CC2)C1.O=C(O)C(F)(F)F.
What is the InChIKey of 2-amino-N-[1-(4-phenylcyclohexyl)azetidin-3-yl]acetamide;2,2,2-trifluoroacetic acid?
The InChIKey is HAOMMOADBFFMSN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25N3O.C2HF3O2/c18-10-17(21)19-15-11-20(12-15)16-8-6-14(7-9-16)13-4-2-1-3-5-13;3-2(4,5)1(6)7/h1-5,14-16H,6-12,18H2,(H,19,21);(H,6,7).
What are the key properties of 2-amino-N-[1-(4-phenylcyclohexyl)azetidin-3-yl]acetamide;2,2,2-trifluoroacetic acid?
2-amino-N-[1-(4-phenylcyclohexyl)azetidin-3-yl]acetamide;2,2,2-trifluoroacetic acid has a molecular weight of 401.43 g/mol, XLogP of 2.11, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-[1-(4-phenylcyclohexyl)azetidin-3-yl]acetamide;2,2,2-trifluoroacetic acid is sourced from PubChem (CID 86646681), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).