1-[[butyl(methyl)amino]methyl]-N,N-dimethylcyclopentan-1-amine;4-(difluoromethoxy)-N-[(E)-3-(2,4-difluorophenyl)-2-methylprop-2-enyl]-3-methoxy-N-methylbenzamide

C33H47F4N3O3 — CID 143387071

IUPAC1-[[butyl(methyl)amino]methyl]-N,N-dimethylcyclopentan-1-amine;4-(difluoromethoxy)-N-[(E)-3-(2,4-difluorophenyl)-2-methylprop-2-enyl]-3-methoxy-N-methylbenzamide
SMILESCCCCN(C)CC1(N(C)C)CCCC1.COc1cc(C(=O)N(C)C/C(C)=C/c2ccc(F)cc2F)ccc1OC(F)F
InChIInChI=1S/C20H19F4NO3.C13H28N2/c1-12(8-13-4-6-15(21)10-16(13)22)11-25(2)19(26)14-5-7-17(28-20(23)24)18(9-14)27-3;1-5-6-11-15(4)12-13(14(2)3)9-7-8-10-13/h4-10,20H,11H2,1-3H3;5-12H2,1-4H3/b12-8+;
InChIKeyUIHVUWYNELHDIA-MXZHIVQLSA-N
MW609.75 g/mol
LogP7.34
Rot. Bonds13

About 1-[[butyl(methyl)amino]methyl]-N,N-dimethylcyclopentan-1-amine;4-(difluoromethoxy)-N-[(E)-3-(2,4-difluorophenyl)-2-methylprop-2-enyl]-3-methoxy-N-methylbenzamide

1-[[butyl(methyl)amino]methyl]-N,N-dimethylcyclopentan-1-amine;4-(difluoromethoxy)-N-[(E)-3-(2,4-difluorophenyl)-2-methylprop-2-enyl]-3-methoxy-N-methylbenzamide (PubChem CID 143387071) has the molecular formula C33H47F4N3O3 and a molecular weight of 609.75 g/mol. Its IUPAC name is 1-[[butyl(methyl)amino]methyl]-N,N-dimethylcyclopentan-1-amine;4-(difluoromethoxy)-N-[(E)-3-(2,4-difluorophenyl)-2-methylprop-2-enyl]-3-methoxy-N-methylbenzamide.

Molecular Properties

Compound Name1-[[butyl(methyl)amino]methyl]-N,N-dimethylcyclopentan-1-amine;4-(difluoromethoxy)-N-[(E)-3-(2,4-difluorophenyl)-2-methylprop-2-enyl]-3-methoxy-N-methylbenzamide
PubChem CID143387071
Molecular FormulaC33H47F4N3O3
Molecular Weight609.75 g/mol
Exact Mass609.36
IUPAC Name1-[[butyl(methyl)amino]methyl]-N,N-dimethylcyclopentan-1-amine;4-(difluoromethoxy)-N-[(E)-3-(2,4-difluorophenyl)-2-methylprop-2-enyl]-3-methoxy-N-methylbenzamide
SMILESCCCCN(C)CC1(N(C)C)CCCC1.COc1cc(C(=O)N(C)C/C(C)=C/c2ccc(F)cc2F)ccc1OC(F)F
InChIInChI=1S/C20H19F4NO3.C13H28N2/c1-12(8-13-4-6-15(21)10-16(13)22)11-25(2)19(26)14-5-7-17(28-20(23)24)18(9-14)27-3;1-5-6-11-15(4)12-13(14(2)3)9-7-8-10-13/h4-10,20H,11H2,1-3H3;5-12H2,1-4H3/b12-8+;
InChIKeyUIHVUWYNELHDIA-MXZHIVQLSA-N
XLogP7.34
TPSA45.25 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds13
Heavy Atoms43
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500609.75
LogP ≤ 57.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 1-[[butyl(methyl)amino]methyl]-N,N-dimethylcyclopentan-1-amine;4-(difluoromethoxy)-N-[(E)-3-(2,4-difluorophenyl)-2-methylprop-2-enyl]-3-methoxy-N-methylbenzamide 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-[[(2S)-1-(cyclohexylmethyl)pyrrolidin-2-yl]methyl]-3-(difluoromethoxy)-N-[(E)-3-(2,4-difluorophenyl)-2-methylprop-2-enyl]-4-methoxybenzamide
CID 10008014
2-[[4-(difluoromethoxy)-3-methoxybenzoyl]-propylamino]acetic acid
CID 119204959
2-[[3-(difluoromethoxy)-4-methoxybenzoyl]-methylamino]acetic acid
CID 119171808
tert-butyl N-[2-[[2-[[[4-(difluoromethoxy)-3-methoxybenzoyl]-[3-(2,4-difluorophenyl)-2-methylprop-2-enyl]amino]methyl]pyrrolidin-1-yl]methyl]cyclopentyl]carbamate
CID 78037466
N-butyl-4-(difluoromethoxy)-3-methoxy-N-(2,2,2-trifluoroethyl)benzamide
CID 55661909
N-[(1S)-2-(4-aminocyclohexyl)-1-pyrrolidin-2-ylethyl]-N-[3-(2,4-difluorophenyl)-2-methylprop-2-enyl]-3,4-dimethoxybenzamide;dihydrochloride
CID 69175273
N-[[1-[(4-aminocyclohexyl)methyl]pyrrolidin-2-yl]methyl]-N-[(E)-3-(2,4-difluorophenyl)-2-methylprop-2-enyl]-3,4-dimethoxybenzamide
CID 69175482
N-[[(2S)-1-[(1S)-1-cyclohexylethyl]pyrrolidin-2-yl]methyl]-N-[(E)-3-(2,4-difluorophenyl)-2-methylprop-2-enyl]-3,4-dimethoxybenzamide
CID 142709375
N-[[1-[[(1S,3R)-3-aminocyclopentyl]methyl]pyrrolidin-2-yl]methyl]-N-[(E)-3-(2,4-difluorophenyl)-2-methylprop-2-enyl]-3,4-dimethoxybenzamide
CID 71211976
N-[(4-chlorophenyl)methyl]-4-(difluoromethoxy)-3-methoxy-N-methylbenzamide
CID 55328783
N-(1-aminopropan-2-yl)-4-(difluoromethoxy)-3-methoxy-N-methylbenzamide;hydrochloride
CID 119584895
2-[butyl(methyl)amino]-1-(3-fluoro-4-methoxyphenyl)ethanone
CID 43227810

Frequently Asked Questions

What is the IUPAC name of 1-[[butyl(methyl)amino]methyl]-N,N-dimethylcyclopentan-1-amine;4-(difluoromethoxy)-N-[(E)-3-(2,4-difluorophenyl)-2-methylprop-2-enyl]-3-methoxy-N-methylbenzamide?
The IUPAC name of 1-[[butyl(methyl)amino]methyl]-N,N-dimethylcyclopentan-1-amine;4-(difluoromethoxy)-N-[(E)-3-(2,4-difluorophenyl)-2-methylprop-2-enyl]-3-methoxy-N-methylbenzamide (CID 143387071) is 1-[[butyl(methyl)amino]methyl]-N,N-dimethylcyclopentan-1-amine;4-(difluoromethoxy)-N-[(E)-3-(2,4-difluorophenyl)-2-methylprop-2-enyl]-3-methoxy-N-methylbenzamide.
What is the SMILES notation for 1-[[butyl(methyl)amino]methyl]-N,N-dimethylcyclopentan-1-amine;4-(difluoromethoxy)-N-[(E)-3-(2,4-difluorophenyl)-2-methylprop-2-enyl]-3-methoxy-N-methylbenzamide?
The canonical SMILES for 1-[[butyl(methyl)amino]methyl]-N,N-dimethylcyclopentan-1-amine;4-(difluoromethoxy)-N-[(E)-3-(2,4-difluorophenyl)-2-methylprop-2-enyl]-3-methoxy-N-methylbenzamide is CCCCN(C)CC1(N(C)C)CCCC1.COc1cc(C(=O)N(C)C/C(C)=C/c2ccc(F)cc2F)ccc1OC(F)F.
What is the InChIKey of 1-[[butyl(methyl)amino]methyl]-N,N-dimethylcyclopentan-1-amine;4-(difluoromethoxy)-N-[(E)-3-(2,4-difluorophenyl)-2-methylprop-2-enyl]-3-methoxy-N-methylbenzamide?
The InChIKey is UIHVUWYNELHDIA-MXZHIVQLSA-N. The full InChI is InChI=1S/C20H19F4NO3.C13H28N2/c1-12(8-13-4-6-15(21)10-16(13)22)11-25(2)19(26)14-5-7-17(28-20(23)24)18(9-14)27-3;1-5-6-11-15(4)12-13(14(2)3)9-7-8-10-13/h4-10,20H,11H2,1-3H3;5-12H2,1-4H3/b12-8+;.
What are the key properties of 1-[[butyl(methyl)amino]methyl]-N,N-dimethylcyclopentan-1-amine;4-(difluoromethoxy)-N-[(E)-3-(2,4-difluorophenyl)-2-methylprop-2-enyl]-3-methoxy-N-methylbenzamide?
1-[[butyl(methyl)amino]methyl]-N,N-dimethylcyclopentan-1-amine;4-(difluoromethoxy)-N-[(E)-3-(2,4-difluorophenyl)-2-methylprop-2-enyl]-3-methoxy-N-methylbenzamide has a molecular weight of 609.75 g/mol, XLogP of 7.34, 13 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[butyl(methyl)amino]methyl]-N,N-dimethylcyclopentan-1-amine;4-(difluoromethoxy)-N-[(E)-3-(2,4-difluorophenyl)-2-methylprop-2-enyl]-3-methoxy-N-methylbenzamide is sourced from PubChem (CID 143387071), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).