N-cyclohexyl-3-[[3-(trifluoromethyl)phenyl]methylcarbamoylamino]propanamide

C18H24F3N3O2 — CID 60547814

IUPACN-cyclohexyl-3-[[3-(trifluoromethyl)phenyl]methylcarbamoylamino]propanamide
SMILESO=C(CCNC(=O)NCc1cccc(C(F)(F)F)c1)NC1CCCCC1
InChIInChI=1S/C18H24F3N3O2/c19-18(20,21)14-6-4-5-13(11-14)12-23-17(26)22-10-9-16(25)24-15-7-2-1-3-8-15/h4-6,11,15H,1-3,7-10,12H2,(H,24,25)(H2,22,23,26)
InChIKeyNDSLHIGJZHMKGY-UHFFFAOYSA-N
MW371.40 g/mol
LogP3.34
Rot. Bonds6

About N-cyclohexyl-3-[[3-(trifluoromethyl)phenyl]methylcarbamoylamino]propanamide

N-cyclohexyl-3-[[3-(trifluoromethyl)phenyl]methylcarbamoylamino]propanamide (PubChem CID 60547814) has the molecular formula C18H24F3N3O2 and a molecular weight of 371.40 g/mol. Its IUPAC name is N-cyclohexyl-3-[[3-(trifluoromethyl)phenyl]methylcarbamoylamino]propanamide.

Molecular Properties

Compound NameN-cyclohexyl-3-[[3-(trifluoromethyl)phenyl]methylcarbamoylamino]propanamide
PubChem CID60547814
Molecular FormulaC18H24F3N3O2
Molecular Weight371.40 g/mol
Exact Mass371.18
IUPAC NameN-cyclohexyl-3-[[3-(trifluoromethyl)phenyl]methylcarbamoylamino]propanamide
SMILESO=C(CCNC(=O)NCc1cccc(C(F)(F)F)c1)NC1CCCCC1
InChIInChI=1S/C18H24F3N3O2/c19-18(20,21)14-6-4-5-13(11-14)12-23-17(26)22-10-9-16(25)24-15-7-2-1-3-8-15/h4-6,11,15H,1-3,7-10,12H2,(H,24,25)(H2,22,23,26)
InChIKeyNDSLHIGJZHMKGY-UHFFFAOYSA-N
XLogP3.34
TPSA70.23 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.40
LogP ≤ 53.34
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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Related Compounds

N-cycloheptyl-3-[3-(trifluoromethyl)anilino]propanamide
CID 109031498
N-[3-oxo-3-[[3-(trifluoromethyl)phenyl]methylamino]propyl]cyclopentanecarboxamide
CID 46450428
N-cyclopentyl-3-[3-(trifluoromethyl)anilino]propanamide
CID 109013531
3-(cyclopropylamino)-N-[[3-(trifluoromethyl)phenyl]methyl]propanamide
CID 60842789
[2-(cyclooctylamino)-2-oxoethyl] 2-[3-(trifluoromethyl)phenyl]acetate
CID 35564776
N-cycloheptyl-3-[5-[[3-(trifluoromethyl)phenyl]methyl]-1,3,4-oxadiazol-2-yl]propanamide
CID 42395092
N-(1,1-dioxothiolan-3-yl)-3-[[N'-methyl-N-[[3-(trifluoromethyl)phenyl]methyl]carbamimidoyl]amino]propanamide
CID 111267241
N-cyclopentyl-2-[(S)-[3-(trifluoromethyl)phenyl]methylsulfinyl]acetamide
CID 95169267
1-(azetidin-3-ylmethyl)-3-[[3-(trifluoromethyl)phenyl]methyl]urea
CID 117235419
3-[(cyclohexylcarbamoylamino)methyl]benzoic acid
CID 60894600
1-[(3-hydroxycyclohexyl)methyl]-3-[[3-(trifluoromethyl)phenyl]methyl]urea
CID 111503910
2-[3-(trifluoromethyl)phenyl]-N-[[3-(trifluoromethyl)phenyl]methyl]acetamide
CID 26241577

Frequently Asked Questions

What is the IUPAC name of N-cyclohexyl-3-[[3-(trifluoromethyl)phenyl]methylcarbamoylamino]propanamide?
The IUPAC name of N-cyclohexyl-3-[[3-(trifluoromethyl)phenyl]methylcarbamoylamino]propanamide (CID 60547814) is N-cyclohexyl-3-[[3-(trifluoromethyl)phenyl]methylcarbamoylamino]propanamide.
What is the SMILES notation for N-cyclohexyl-3-[[3-(trifluoromethyl)phenyl]methylcarbamoylamino]propanamide?
The canonical SMILES for N-cyclohexyl-3-[[3-(trifluoromethyl)phenyl]methylcarbamoylamino]propanamide is O=C(CCNC(=O)NCc1cccc(C(F)(F)F)c1)NC1CCCCC1.
What is the InChIKey of N-cyclohexyl-3-[[3-(trifluoromethyl)phenyl]methylcarbamoylamino]propanamide?
The InChIKey is NDSLHIGJZHMKGY-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24F3N3O2/c19-18(20,21)14-6-4-5-13(11-14)12-23-17(26)22-10-9-16(25)24-15-7-2-1-3-8-15/h4-6,11,15H,1-3,7-10,12H2,(H,24,25)(H2,22,23,26).
What are the key properties of N-cyclohexyl-3-[[3-(trifluoromethyl)phenyl]methylcarbamoylamino]propanamide?
N-cyclohexyl-3-[[3-(trifluoromethyl)phenyl]methylcarbamoylamino]propanamide has a molecular weight of 371.40 g/mol, XLogP of 3.34, 6 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclohexyl-3-[[3-(trifluoromethyl)phenyl]methylcarbamoylamino]propanamide is sourced from PubChem (CID 60547814), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).