N-(cyclopropylmethyl)-N-methyl-1-[[4-[2-[3-(trifluoromethyl)phenyl]ethyl]phenyl]methyl]azetidine-3-carboxamide

C25H29F3N2O — CID 176930854

IUPACN-(cyclopropylmethyl)-N-methyl-1-[[4-[2-[3-(trifluoromethyl)phenyl]ethyl]phenyl]methyl]azetidine-3-carboxamide
SMILESCN(CC1CC1)C(=O)C1CN(Cc2ccc(CCc3cccc(C(F)(F)F)c3)cc2)C1
InChIInChI=1S/C25H29F3N2O/c1-29(14-20-11-12-20)24(31)22-16-30(17-22)15-21-9-6-18(7-10-21)5-8-19-3-2-4-23(13-19)25(26,27)28/h2-4,6-7,9-10,13,20,22H,5,8,11-12,14-17H2,1H3
InChIKeyFCEAUDGSAGLRCH-UHFFFAOYSA-N
MW430.51 g/mol
LogP4.79
Rot. Bonds8

About N-(cyclopropylmethyl)-N-methyl-1-[[4-[2-[3-(trifluoromethyl)phenyl]ethyl]phenyl]methyl]azetidine-3-carboxamide

N-(cyclopropylmethyl)-N-methyl-1-[[4-[2-[3-(trifluoromethyl)phenyl]ethyl]phenyl]methyl]azetidine-3-carboxamide (PubChem CID 176930854) has the molecular formula C25H29F3N2O and a molecular weight of 430.51 g/mol. Its IUPAC name is N-(cyclopropylmethyl)-N-methyl-1-[[4-[2-[3-(trifluoromethyl)phenyl]ethyl]phenyl]methyl]azetidine-3-carboxamide.

Molecular Properties

Compound NameN-(cyclopropylmethyl)-N-methyl-1-[[4-[2-[3-(trifluoromethyl)phenyl]ethyl]phenyl]methyl]azetidine-3-carboxamide
PubChem CID176930854
Molecular FormulaC25H29F3N2O
Molecular Weight430.51 g/mol
Exact Mass430.22
IUPAC NameN-(cyclopropylmethyl)-N-methyl-1-[[4-[2-[3-(trifluoromethyl)phenyl]ethyl]phenyl]methyl]azetidine-3-carboxamide
SMILESCN(CC1CC1)C(=O)C1CN(Cc2ccc(CCc3cccc(C(F)(F)F)c3)cc2)C1
InChIInChI=1S/C25H29F3N2O/c1-29(14-20-11-12-20)24(31)22-16-30(17-22)15-21-9-6-18(7-10-21)5-8-19-3-2-4-23(13-19)25(26,27)28/h2-4,6-7,9-10,13,20,22H,5,8,11-12,14-17H2,1H3
InChIKeyFCEAUDGSAGLRCH-UHFFFAOYSA-N
XLogP4.79
TPSA23.55 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500430.51
LogP ≤ 54.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze N-(cyclopropylmethyl)-N-methyl-1-[[4-[2-[3-(trifluoromethyl)phenyl]ethyl]phenyl]methyl]azetidine-3-carboxamide with MolForge

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

Launch Full Analysis

Related Compounds

N-methyl-N-[[(3S)-1-[2-[3-(trifluoromethyl)phenyl]ethyl]piperidin-3-yl]methyl]cyclopentanecarboxamide
CID 42401637
N-(2,2-dimethylpropyl)-1-[[4-[2-[3-(trifluoromethyl)phenyl]ethyl]phenyl]methyl]azetidine-3-carboxamide
CID 176930568
(2S)-N-methyl-N-[[1-[2-[3-(trifluoromethyl)phenyl]ethyl]piperidin-4-yl]methyl]-2,5-dihydro-1H-pyrrole-2-carboxamide
CID 97277487
N-methyl-N-[[1-[2-[3-(trifluoromethyl)phenyl]ethyl]piperidin-4-yl]methyl]-2,5-dihydro-1H-pyrrole-2-carboxamide;dihydrochloride
CID 154899870
N-methyl-N-[[1-[2-[3-(trifluoromethyl)phenyl]ethyl]piperidin-4-yl]methyl]pyridine-4-carboxamide
CID 42594811
N-methyl-2-methylsulfanyl-N-[[1-[2-[3-(trifluoromethyl)phenyl]ethyl]piperidin-4-yl]methyl]acetamide
CID 25455152
N-methyl-N-[[1-[2-[3-(trifluoromethyl)phenyl]ethyl]piperidin-3-yl]methyl]benzamide
CID 45210227
2-hydroxy-N-methyl-N-[[1-[2-[3-(trifluoromethyl)phenyl]ethyl]piperidin-3-yl]methyl]acetamide
CID 72913282
N,1,5-trimethyl-N-[[1-[[3-(trifluoromethyl)phenyl]methyl]piperidin-4-yl]methyl]pyrazole-3-carboxamide
CID 172892283
2-(dimethylamino)-N-methyl-N-[[1-[2-[3-(trifluoromethyl)phenyl]ethyl]piperidin-3-yl]methyl]acetamide
CID 56718790
N-methyl-N-[[(3R)-1-[2-[3-(trifluoromethyl)phenyl]ethyl]piperidin-3-yl]methyl]thiophene-3-carboxamide
CID 26335690
1-[[3-methoxy-4-[[3-(trifluoromethyl)phenyl]methoxy]phenyl]methyl]-N,N-dimethylazetidine-3-carboxamide
CID 176930406

Frequently Asked Questions

What is the IUPAC name of N-(cyclopropylmethyl)-N-methyl-1-[[4-[2-[3-(trifluoromethyl)phenyl]ethyl]phenyl]methyl]azetidine-3-carboxamide?
The IUPAC name of N-(cyclopropylmethyl)-N-methyl-1-[[4-[2-[3-(trifluoromethyl)phenyl]ethyl]phenyl]methyl]azetidine-3-carboxamide (CID 176930854) is N-(cyclopropylmethyl)-N-methyl-1-[[4-[2-[3-(trifluoromethyl)phenyl]ethyl]phenyl]methyl]azetidine-3-carboxamide.
What is the SMILES notation for N-(cyclopropylmethyl)-N-methyl-1-[[4-[2-[3-(trifluoromethyl)phenyl]ethyl]phenyl]methyl]azetidine-3-carboxamide?
The canonical SMILES for N-(cyclopropylmethyl)-N-methyl-1-[[4-[2-[3-(trifluoromethyl)phenyl]ethyl]phenyl]methyl]azetidine-3-carboxamide is CN(CC1CC1)C(=O)C1CN(Cc2ccc(CCc3cccc(C(F)(F)F)c3)cc2)C1.
What is the InChIKey of N-(cyclopropylmethyl)-N-methyl-1-[[4-[2-[3-(trifluoromethyl)phenyl]ethyl]phenyl]methyl]azetidine-3-carboxamide?
The InChIKey is FCEAUDGSAGLRCH-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H29F3N2O/c1-29(14-20-11-12-20)24(31)22-16-30(17-22)15-21-9-6-18(7-10-21)5-8-19-3-2-4-23(13-19)25(26,27)28/h2-4,6-7,9-10,13,20,22H,5,8,11-12,14-17H2,1H3.
What are the key properties of N-(cyclopropylmethyl)-N-methyl-1-[[4-[2-[3-(trifluoromethyl)phenyl]ethyl]phenyl]methyl]azetidine-3-carboxamide?
N-(cyclopropylmethyl)-N-methyl-1-[[4-[2-[3-(trifluoromethyl)phenyl]ethyl]phenyl]methyl]azetidine-3-carboxamide has a molecular weight of 430.51 g/mol, XLogP of 4.79, 8 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(cyclopropylmethyl)-N-methyl-1-[[4-[2-[3-(trifluoromethyl)phenyl]ethyl]phenyl]methyl]azetidine-3-carboxamide is sourced from PubChem (CID 176930854), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).