3-[bis(2-methylpropyl)amino]-N-[3-(trifluoromethyl)phenyl]azetidine-1-carboxamide

C19H28F3N3O — CID 23140227

IUPAC3-[bis(2-methylpropyl)amino]-N-[3-(trifluoromethyl)phenyl]azetidine-1-carboxamide
SMILESCC(C)CN(CC(C)C)C1CN(C(=O)Nc2cccc(C(F)(F)F)c2)C1
InChIInChI=1S/C19H28F3N3O/c1-13(2)9-24(10-14(3)4)17-11-25(12-17)18(26)23-16-7-5-6-15(8-16)19(20,21)22/h5-8,13-14,17H,9-12H2,1-4H3,(H,23,26)
InChIKeyHTKYPPVBBKVUCI-UHFFFAOYSA-N
MW371.45 g/mol
LogP4.54
Rot. Bonds6

About 3-[bis(2-methylpropyl)amino]-N-[3-(trifluoromethyl)phenyl]azetidine-1-carboxamide

3-[bis(2-methylpropyl)amino]-N-[3-(trifluoromethyl)phenyl]azetidine-1-carboxamide (PubChem CID 23140227) has the molecular formula C19H28F3N3O and a molecular weight of 371.45 g/mol. Its IUPAC name is 3-[bis(2-methylpropyl)amino]-N-[3-(trifluoromethyl)phenyl]azetidine-1-carboxamide.

Molecular Properties

Compound Name3-[bis(2-methylpropyl)amino]-N-[3-(trifluoromethyl)phenyl]azetidine-1-carboxamide
PubChem CID23140227
Molecular FormulaC19H28F3N3O
Molecular Weight371.45 g/mol
Exact Mass371.22
IUPAC Name3-[bis(2-methylpropyl)amino]-N-[3-(trifluoromethyl)phenyl]azetidine-1-carboxamide
SMILESCC(C)CN(CC(C)C)C1CN(C(=O)Nc2cccc(C(F)(F)F)c2)C1
InChIInChI=1S/C19H28F3N3O/c1-13(2)9-24(10-14(3)4)17-11-25(12-17)18(26)23-16-7-5-6-15(8-16)19(20,21)22/h5-8,13-14,17H,9-12H2,1-4H3,(H,23,26)
InChIKeyHTKYPPVBBKVUCI-UHFFFAOYSA-N
XLogP4.54
TPSA35.58 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.45
LogP ≤ 54.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-[[3-[bis(2-methylpropyl)amino]azetidine-1-carbonyl]amino]benzoic acid
CID 69056634
3-[bis(2-methylpropyl)amino]-N-(3-methylphenyl)azetidine-1-carboxamide
CID 23139973
3-[bis(2-hydroxyethyl)amino]-N-[3-(trifluoromethyl)phenyl]azetidine-1-carboxamide
CID 23140293
3-[bis(2-methylpropyl)amino]-N-(4-methoxyphenyl)azetidine-1-carboxamide
CID 23140249
4-ethyl-N-[3-(trifluoromethyl)phenyl]piperazin-4-ium-1-carboxamide
CID 7165092
3-(methylamino)-N-[3-(trifluoromethyl)phenyl]piperidine-1-carboxamide
CID 62536564
4-hydroxy-N-[3-(trifluoromethyl)phenyl]piperidine-1-carboxamide
CID 4251973
3-acetamido-N-[3-(trifluoromethyl)phenyl]pyrrolidine-1-carboxamide
CID 72862706
4-(propan-2-ylsulfonylamino)-N-[3-(trifluoromethyl)phenyl]piperidine-1-carboxamide
CID 20628883
ethyl 4-[[3-(trifluoromethyl)phenyl]carbamoyl]piperazine-1-carboxylate
CID 3784054
N-[3-(trifluoromethyl)phenyl]piperazine-1-carboxamide
CID 22614394
N,4-bis[3-(trifluoromethyl)phenyl]piperidine-1-carboxamide
CID 162535440

Frequently Asked Questions

What is the IUPAC name of 3-[bis(2-methylpropyl)amino]-N-[3-(trifluoromethyl)phenyl]azetidine-1-carboxamide?
The IUPAC name of 3-[bis(2-methylpropyl)amino]-N-[3-(trifluoromethyl)phenyl]azetidine-1-carboxamide (CID 23140227) is 3-[bis(2-methylpropyl)amino]-N-[3-(trifluoromethyl)phenyl]azetidine-1-carboxamide.
What is the SMILES notation for 3-[bis(2-methylpropyl)amino]-N-[3-(trifluoromethyl)phenyl]azetidine-1-carboxamide?
The canonical SMILES for 3-[bis(2-methylpropyl)amino]-N-[3-(trifluoromethyl)phenyl]azetidine-1-carboxamide is CC(C)CN(CC(C)C)C1CN(C(=O)Nc2cccc(C(F)(F)F)c2)C1.
What is the InChIKey of 3-[bis(2-methylpropyl)amino]-N-[3-(trifluoromethyl)phenyl]azetidine-1-carboxamide?
The InChIKey is HTKYPPVBBKVUCI-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H28F3N3O/c1-13(2)9-24(10-14(3)4)17-11-25(12-17)18(26)23-16-7-5-6-15(8-16)19(20,21)22/h5-8,13-14,17H,9-12H2,1-4H3,(H,23,26).
What are the key properties of 3-[bis(2-methylpropyl)amino]-N-[3-(trifluoromethyl)phenyl]azetidine-1-carboxamide?
3-[bis(2-methylpropyl)amino]-N-[3-(trifluoromethyl)phenyl]azetidine-1-carboxamide has a molecular weight of 371.45 g/mol, XLogP of 4.54, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[bis(2-methylpropyl)amino]-N-[3-(trifluoromethyl)phenyl]azetidine-1-carboxamide is sourced from PubChem (CID 23140227), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).