2-(cyclopropylmethylamino)-N-[4-(trifluoromethyl)cyclohexyl]acetamide

C13H21F3N2O — CID 54924685

IUPAC2-(cyclopropylmethylamino)-N-[4-(trifluoromethyl)cyclohexyl]acetamide
SMILESO=C(CNCC1CC1)NC1CCC(C(F)(F)F)CC1
InChIInChI=1S/C13H21F3N2O/c14-13(15,16)10-3-5-11(6-4-10)18-12(19)8-17-7-9-1-2-9/h9-11,17H,1-8H2,(H,18,19)
InChIKeyWCOOIIWZVPWNSU-UHFFFAOYSA-N
MW278.32 g/mol
LogP2.22
Rot. Bonds5

About 2-(cyclopropylmethylamino)-N-[4-(trifluoromethyl)cyclohexyl]acetamide

2-(cyclopropylmethylamino)-N-[4-(trifluoromethyl)cyclohexyl]acetamide (PubChem CID 54924685) has the molecular formula C13H21F3N2O and a molecular weight of 278.32 g/mol. Its IUPAC name is 2-(cyclopropylmethylamino)-N-[4-(trifluoromethyl)cyclohexyl]acetamide.

Molecular Properties

Compound Name2-(cyclopropylmethylamino)-N-[4-(trifluoromethyl)cyclohexyl]acetamide
PubChem CID54924685
Molecular FormulaC13H21F3N2O
Molecular Weight278.32 g/mol
Exact Mass278.16
IUPAC Name2-(cyclopropylmethylamino)-N-[4-(trifluoromethyl)cyclohexyl]acetamide
SMILESO=C(CNCC1CC1)NC1CCC(C(F)(F)F)CC1
InChIInChI=1S/C13H21F3N2O/c14-13(15,16)10-3-5-11(6-4-10)18-12(19)8-17-7-9-1-2-9/h9-11,17H,1-8H2,(H,18,19)
InChIKeyWCOOIIWZVPWNSU-UHFFFAOYSA-N
XLogP2.22
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.32
LogP ≤ 52.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(cyclopropylmethylamino)-N-[4-(trifluoromethyl)cyclohexyl]acetamide?
The IUPAC name of 2-(cyclopropylmethylamino)-N-[4-(trifluoromethyl)cyclohexyl]acetamide (CID 54924685) is 2-(cyclopropylmethylamino)-N-[4-(trifluoromethyl)cyclohexyl]acetamide.
What is the SMILES notation for 2-(cyclopropylmethylamino)-N-[4-(trifluoromethyl)cyclohexyl]acetamide?
The canonical SMILES for 2-(cyclopropylmethylamino)-N-[4-(trifluoromethyl)cyclohexyl]acetamide is O=C(CNCC1CC1)NC1CCC(C(F)(F)F)CC1.
What is the InChIKey of 2-(cyclopropylmethylamino)-N-[4-(trifluoromethyl)cyclohexyl]acetamide?
The InChIKey is WCOOIIWZVPWNSU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21F3N2O/c14-13(15,16)10-3-5-11(6-4-10)18-12(19)8-17-7-9-1-2-9/h9-11,17H,1-8H2,(H,18,19).
What are the key properties of 2-(cyclopropylmethylamino)-N-[4-(trifluoromethyl)cyclohexyl]acetamide?
2-(cyclopropylmethylamino)-N-[4-(trifluoromethyl)cyclohexyl]acetamide has a molecular weight of 278.32 g/mol, XLogP of 2.22, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(cyclopropylmethylamino)-N-[4-(trifluoromethyl)cyclohexyl]acetamide is sourced from PubChem (CID 54924685), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).