5-(carbamoylamino)-N-[(1R,2S)-2-(trifluoromethyl)cyclohexyl]pentanamide

C13H22F3N3O2 — CID 97310815

IUPAC5-(carbamoylamino)-N-[(1R,2S)-2-(trifluoromethyl)cyclohexyl]pentanamide
SMILESNC(=O)NCCCCC(=O)N[C@@H]1CCCC[C@@H]1C(F)(F)F
InChIInChI=1S/C13H22F3N3O2/c14-13(15,16)9-5-1-2-6-10(9)19-11(20)7-3-4-8-18-12(17)21/h9-10H,1-8H2,(H,19,20)(H3,17,18,21)/t9-,10+/m0/s1
InChIKeyVZAGZVZYASQMBC-VHSXEESVSA-N
MW309.33 g/mol
LogP2.06
Rot. Bonds6

About 5-(carbamoylamino)-N-[(1R,2S)-2-(trifluoromethyl)cyclohexyl]pentanamide

5-(carbamoylamino)-N-[(1R,2S)-2-(trifluoromethyl)cyclohexyl]pentanamide (PubChem CID 97310815) has the molecular formula C13H22F3N3O2 and a molecular weight of 309.33 g/mol. Its IUPAC name is 5-(carbamoylamino)-N-[(1R,2S)-2-(trifluoromethyl)cyclohexyl]pentanamide.

Molecular Properties

Compound Name5-(carbamoylamino)-N-[(1R,2S)-2-(trifluoromethyl)cyclohexyl]pentanamide
PubChem CID97310815
Molecular FormulaC13H22F3N3O2
Molecular Weight309.33 g/mol
Exact Mass309.17
IUPAC Name5-(carbamoylamino)-N-[(1R,2S)-2-(trifluoromethyl)cyclohexyl]pentanamide
SMILESNC(=O)NCCCCC(=O)N[C@@H]1CCCC[C@@H]1C(F)(F)F
InChIInChI=1S/C13H22F3N3O2/c14-13(15,16)9-5-1-2-6-10(9)19-11(20)7-3-4-8-18-12(17)21/h9-10H,1-8H2,(H,19,20)(H3,17,18,21)/t9-,10+/m0/s1
InChIKeyVZAGZVZYASQMBC-VHSXEESVSA-N
XLogP2.06
TPSA84.22 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.33
LogP ≤ 52.06
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 5-(carbamoylamino)-N-[(1R,2S)-2-(trifluoromethyl)cyclohexyl]pentanamide?
The IUPAC name of 5-(carbamoylamino)-N-[(1R,2S)-2-(trifluoromethyl)cyclohexyl]pentanamide (CID 97310815) is 5-(carbamoylamino)-N-[(1R,2S)-2-(trifluoromethyl)cyclohexyl]pentanamide.
What is the SMILES notation for 5-(carbamoylamino)-N-[(1R,2S)-2-(trifluoromethyl)cyclohexyl]pentanamide?
The canonical SMILES for 5-(carbamoylamino)-N-[(1R,2S)-2-(trifluoromethyl)cyclohexyl]pentanamide is NC(=O)NCCCCC(=O)N[C@@H]1CCCC[C@@H]1C(F)(F)F.
What is the InChIKey of 5-(carbamoylamino)-N-[(1R,2S)-2-(trifluoromethyl)cyclohexyl]pentanamide?
The InChIKey is VZAGZVZYASQMBC-VHSXEESVSA-N. The full InChI is InChI=1S/C13H22F3N3O2/c14-13(15,16)9-5-1-2-6-10(9)19-11(20)7-3-4-8-18-12(17)21/h9-10H,1-8H2,(H,19,20)(H3,17,18,21)/t9-,10+/m0/s1.
What are the key properties of 5-(carbamoylamino)-N-[(1R,2S)-2-(trifluoromethyl)cyclohexyl]pentanamide?
5-(carbamoylamino)-N-[(1R,2S)-2-(trifluoromethyl)cyclohexyl]pentanamide has a molecular weight of 309.33 g/mol, XLogP of 2.06, 6 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(carbamoylamino)-N-[(1R,2S)-2-(trifluoromethyl)cyclohexyl]pentanamide is sourced from PubChem (CID 97310815), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).