N-(cyclopropylmethyl)-2-[[4-(trifluoromethyl)cyclohexyl]carbamoylamino]acetamide

C14H22F3N3O2 — CID 75448551

IUPACN-(cyclopropylmethyl)-2-[[4-(trifluoromethyl)cyclohexyl]carbamoylamino]acetamide
SMILESO=C(CNC(=O)NC1CCC(C(F)(F)F)CC1)NCC1CC1
InChIInChI=1S/C14H22F3N3O2/c15-14(16,17)10-3-5-11(6-4-10)20-13(22)19-8-12(21)18-7-9-1-2-9/h9-11H,1-8H2,(H,18,21)(H2,19,20,22)
InChIKeyKGMBCTRCKTUTGD-UHFFFAOYSA-N
MW321.34 g/mol
LogP1.93
Rot. Bonds5

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

N-(cyclopropylmethyl)-2-[[4-(trifluoromethyl)cyclohexyl]carbamoylamino]acetamide (PubChem CID 75448551) has the molecular formula C14H22F3N3O2 and a molecular weight of 321.34 g/mol. Its IUPAC name is N-(cyclopropylmethyl)-2-[[4-(trifluoromethyl)cyclohexyl]carbamoylamino]acetamide.

Molecular Properties

Compound NameN-(cyclopropylmethyl)-2-[[4-(trifluoromethyl)cyclohexyl]carbamoylamino]acetamide
PubChem CID75448551
Molecular FormulaC14H22F3N3O2
Molecular Weight321.34 g/mol
Exact Mass321.17
IUPAC NameN-(cyclopropylmethyl)-2-[[4-(trifluoromethyl)cyclohexyl]carbamoylamino]acetamide
SMILESO=C(CNC(=O)NC1CCC(C(F)(F)F)CC1)NCC1CC1
InChIInChI=1S/C14H22F3N3O2/c15-14(16,17)10-3-5-11(6-4-10)20-13(22)19-8-12(21)18-7-9-1-2-9/h9-11H,1-8H2,(H,18,21)(H2,19,20,22)
InChIKeyKGMBCTRCKTUTGD-UHFFFAOYSA-N
XLogP1.93
TPSA70.23 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.34
LogP ≤ 51.93
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

Analyze N-(cyclopropylmethyl)-2-[[4-(trifluoromethyl)cyclohexyl]carbamoylamino]acetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-(cyclopropylmethyl)-2-[[4-(trifluoromethyl)cyclohexyl]carbamoylamino]acetamide?
The IUPAC name of N-(cyclopropylmethyl)-2-[[4-(trifluoromethyl)cyclohexyl]carbamoylamino]acetamide (CID 75448551) is N-(cyclopropylmethyl)-2-[[4-(trifluoromethyl)cyclohexyl]carbamoylamino]acetamide.
What is the SMILES notation for N-(cyclopropylmethyl)-2-[[4-(trifluoromethyl)cyclohexyl]carbamoylamino]acetamide?
The canonical SMILES for N-(cyclopropylmethyl)-2-[[4-(trifluoromethyl)cyclohexyl]carbamoylamino]acetamide is O=C(CNC(=O)NC1CCC(C(F)(F)F)CC1)NCC1CC1.
What is the InChIKey of N-(cyclopropylmethyl)-2-[[4-(trifluoromethyl)cyclohexyl]carbamoylamino]acetamide?
The InChIKey is KGMBCTRCKTUTGD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22F3N3O2/c15-14(16,17)10-3-5-11(6-4-10)20-13(22)19-8-12(21)18-7-9-1-2-9/h9-11H,1-8H2,(H,18,21)(H2,19,20,22).
What are the key properties of N-(cyclopropylmethyl)-2-[[4-(trifluoromethyl)cyclohexyl]carbamoylamino]acetamide?
N-(cyclopropylmethyl)-2-[[4-(trifluoromethyl)cyclohexyl]carbamoylamino]acetamide has a molecular weight of 321.34 g/mol, XLogP of 1.93, 5 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(cyclopropylmethyl)-2-[[4-(trifluoromethyl)cyclohexyl]carbamoylamino]acetamide is sourced from PubChem (CID 75448551), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).