1-amino-3-methoxy-N-[[4-[4-methoxy-2-(trifluoromethyl)phenoxy]phenyl]methyl]cyclopentane-1-carboxamide

C22H25F3N2O4 — CID 87436147

IUPAC1-amino-3-methoxy-N-[[4-[4-methoxy-2-(trifluoromethyl)phenoxy]phenyl]methyl]cyclopentane-1-carboxamide
SMILESCOc1ccc(Oc2ccc(CNC(=O)C3(N)CCC(OC)C3)cc2)c(C(F)(F)F)c1
InChIInChI=1S/C22H25F3N2O4/c1-29-16-7-8-19(18(11-16)22(23,24)25)31-15-5-3-14(4-6-15)13-27-20(28)21(26)10-9-17(12-21)30-2/h3-8,11,17H,9-10,12-13,26H2,1-2H3,(H,27,28)
InChIKeyOBPMNRAQUOAXRW-UHFFFAOYSA-N
MW438.45 g/mol
LogP4.02
Rot. Bonds7

About 1-amino-3-methoxy-N-[[4-[4-methoxy-2-(trifluoromethyl)phenoxy]phenyl]methyl]cyclopentane-1-carboxamide

1-amino-3-methoxy-N-[[4-[4-methoxy-2-(trifluoromethyl)phenoxy]phenyl]methyl]cyclopentane-1-carboxamide (PubChem CID 87436147) has the molecular formula C22H25F3N2O4 and a molecular weight of 438.45 g/mol. Its IUPAC name is 1-amino-3-methoxy-N-[[4-[4-methoxy-2-(trifluoromethyl)phenoxy]phenyl]methyl]cyclopentane-1-carboxamide.

Molecular Properties

Compound Name1-amino-3-methoxy-N-[[4-[4-methoxy-2-(trifluoromethyl)phenoxy]phenyl]methyl]cyclopentane-1-carboxamide
PubChem CID87436147
Molecular FormulaC22H25F3N2O4
Molecular Weight438.45 g/mol
Exact Mass438.18
IUPAC Name1-amino-3-methoxy-N-[[4-[4-methoxy-2-(trifluoromethyl)phenoxy]phenyl]methyl]cyclopentane-1-carboxamide
SMILESCOc1ccc(Oc2ccc(CNC(=O)C3(N)CCC(OC)C3)cc2)c(C(F)(F)F)c1
InChIInChI=1S/C22H25F3N2O4/c1-29-16-7-8-19(18(11-16)22(23,24)25)31-15-5-3-14(4-6-15)13-27-20(28)21(26)10-9-17(12-21)30-2/h3-8,11,17H,9-10,12-13,26H2,1-2H3,(H,27,28)
InChIKeyOBPMNRAQUOAXRW-UHFFFAOYSA-N
XLogP4.02
TPSA82.81 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500438.45
LogP ≤ 54.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

1-amino-4-hydroxy-N-[[4-[4-methoxy-2-(trifluoromethyl)phenoxy]phenyl]methyl]cyclohexane-1-carboxamide
CID 87436410
1-N'-[[4-[4-methoxy-2-(trifluoromethyl)phenoxy]phenyl]methyl]cyclopropane-1,1-dicarboxamide
CID 68725061
[4-[4-methoxy-2-(trifluoromethyl)phenoxy]phenyl]methylcarbamic acid
CID 66789606
methyl 4-[[1-[[4-[4-methoxy-2-(trifluoromethyl)phenoxy]phenyl]methylcarbamoyl]cyclopropyl]amino]-4-oxobutanoate
CID 66792611
[4-[[4-[4-methoxy-2-(trifluoromethyl)phenoxy]phenyl]methylcarbamoyl]thian-4-yl]carbamic acid
CID 67534795
1-[3-(dimethylamino)propanoylamino]-N-[[4-[4-methoxy-2-(trifluoromethyl)phenoxy]phenyl]methyl]cyclopropane-1-carboxamide
CID 25231369
6-methoxy-N-[1-[[4-[4-methoxy-2-(trifluoromethyl)phenoxy]phenyl]methylcarbamoyl]cyclopropyl]pyridine-2-carboxamide
CID 58487779
N-[4-[[4-[4-methoxy-2-(trifluoromethyl)phenoxy]phenyl]methylcarbamoyl]oxan-4-yl]pyrimidine-5-carboxamide
CID 70846528
1-[2-(6-chloro-2-pyridinyl)-2-oxoethyl]-N-[[4-[4-methoxy-2-(trifluoromethyl)phenoxy]phenyl]methyl]cyclopropane-1-carboxamide
CID 58487769
N-[[4-[4-methoxy-2-(trifluoromethyl)phenoxy]phenyl]methyl]-1-[2-oxo-2-(1,3-thiazol-2-yl)ethyl]cyclopropane-1-carboxamide
CID 58487837
N-[3-[bis(prop-2-enyl)amino]-1-[[4-[4-methoxy-2-(trifluoromethyl)phenoxy]phenyl]methylcarbamoyl]cyclobutyl]pyrimidine-5-carboxamide
CID 89026374
pyrimidin-5-yl N-[1-[[4-[4-methoxy-2-(trifluoromethyl)phenoxy]phenyl]methylcarbamoyl]-3-oxocyclobutyl]carbamate
CID 67534570

Frequently Asked Questions

What is the IUPAC name of 1-amino-3-methoxy-N-[[4-[4-methoxy-2-(trifluoromethyl)phenoxy]phenyl]methyl]cyclopentane-1-carboxamide?
The IUPAC name of 1-amino-3-methoxy-N-[[4-[4-methoxy-2-(trifluoromethyl)phenoxy]phenyl]methyl]cyclopentane-1-carboxamide (CID 87436147) is 1-amino-3-methoxy-N-[[4-[4-methoxy-2-(trifluoromethyl)phenoxy]phenyl]methyl]cyclopentane-1-carboxamide.
What is the SMILES notation for 1-amino-3-methoxy-N-[[4-[4-methoxy-2-(trifluoromethyl)phenoxy]phenyl]methyl]cyclopentane-1-carboxamide?
The canonical SMILES for 1-amino-3-methoxy-N-[[4-[4-methoxy-2-(trifluoromethyl)phenoxy]phenyl]methyl]cyclopentane-1-carboxamide is COc1ccc(Oc2ccc(CNC(=O)C3(N)CCC(OC)C3)cc2)c(C(F)(F)F)c1.
What is the InChIKey of 1-amino-3-methoxy-N-[[4-[4-methoxy-2-(trifluoromethyl)phenoxy]phenyl]methyl]cyclopentane-1-carboxamide?
The InChIKey is OBPMNRAQUOAXRW-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25F3N2O4/c1-29-16-7-8-19(18(11-16)22(23,24)25)31-15-5-3-14(4-6-15)13-27-20(28)21(26)10-9-17(12-21)30-2/h3-8,11,17H,9-10,12-13,26H2,1-2H3,(H,27,28).
What are the key properties of 1-amino-3-methoxy-N-[[4-[4-methoxy-2-(trifluoromethyl)phenoxy]phenyl]methyl]cyclopentane-1-carboxamide?
1-amino-3-methoxy-N-[[4-[4-methoxy-2-(trifluoromethyl)phenoxy]phenyl]methyl]cyclopentane-1-carboxamide has a molecular weight of 438.45 g/mol, XLogP of 4.02, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-amino-3-methoxy-N-[[4-[4-methoxy-2-(trifluoromethyl)phenoxy]phenyl]methyl]cyclopentane-1-carboxamide is sourced from PubChem (CID 87436147), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).