N-ethyl-1-[[(3R)-3-[4-(trifluoromethyl)phenyl]butanoyl]amino]cyclopentane-1-carboxamide

C19H25F3N2O2 — CID 124742880

IUPACN-ethyl-1-[[(3R)-3-[4-(trifluoromethyl)phenyl]butanoyl]amino]cyclopentane-1-carboxamide
SMILESCCNC(=O)C1(NC(=O)C[C@@H](C)c2ccc(C(F)(F)F)cc2)CCCC1
InChIInChI=1S/C19H25F3N2O2/c1-3-23-17(26)18(10-4-5-11-18)24-16(25)12-13(2)14-6-8-15(9-7-14)19(20,21)22/h6-9,13H,3-5,10-12H2,1-2H3,(H,23,26)(H,24,25)/t13-/m1/s1
InChIKeyYIQSHGROSGHCJP-CYBMUJFWSA-N
MW370.42 g/mol
LogP3.76
Rot. Bonds6

About N-ethyl-1-[[(3R)-3-[4-(trifluoromethyl)phenyl]butanoyl]amino]cyclopentane-1-carboxamide

N-ethyl-1-[[(3R)-3-[4-(trifluoromethyl)phenyl]butanoyl]amino]cyclopentane-1-carboxamide (PubChem CID 124742880) has the molecular formula C19H25F3N2O2 and a molecular weight of 370.42 g/mol. Its IUPAC name is N-ethyl-1-[[(3R)-3-[4-(trifluoromethyl)phenyl]butanoyl]amino]cyclopentane-1-carboxamide.

Molecular Properties

Compound NameN-ethyl-1-[[(3R)-3-[4-(trifluoromethyl)phenyl]butanoyl]amino]cyclopentane-1-carboxamide
PubChem CID124742880
Molecular FormulaC19H25F3N2O2
Molecular Weight370.42 g/mol
Exact Mass370.19
IUPAC NameN-ethyl-1-[[(3R)-3-[4-(trifluoromethyl)phenyl]butanoyl]amino]cyclopentane-1-carboxamide
SMILESCCNC(=O)C1(NC(=O)C[C@@H](C)c2ccc(C(F)(F)F)cc2)CCCC1
InChIInChI=1S/C19H25F3N2O2/c1-3-23-17(26)18(10-4-5-11-18)24-16(25)12-13(2)14-6-8-15(9-7-14)19(20,21)22/h6-9,13H,3-5,10-12H2,1-2H3,(H,23,26)(H,24,25)/t13-/m1/s1
InChIKeyYIQSHGROSGHCJP-CYBMUJFWSA-N
XLogP3.76
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.42
LogP ≤ 53.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-ethyl-1-[[(2S)-2-(4-ethylphenyl)propanoyl]amino]cyclopentane-1-carboxamide
CID 124853429
N-[[4-(methoxymethyl)piperidin-4-yl]methyl]-3-[4-(trifluoromethyl)phenyl]butanamide;hydrochloride
CID 120887469
3-[3-[4-(trifluoromethyl)phenyl]butanoylamino]butanoic acid
CID 119221603
N-[(1-hydroxy-3,4-dihydro-2H-naphthalen-1-yl)methyl]-3-[4-(trifluoromethyl)phenyl]butanamide
CID 166199835
(3R)-N-(4-amino-4-oxobutyl)-3-[4-(trifluoromethyl)phenyl]butanamide
CID 94676198
tert-butyl N-[2-[3-[4-(trifluoromethyl)phenyl]butanoylamino]ethyl]carbamate
CID 71685048
N-ethyl-1-[(4-propan-2-ylphenyl)sulfonylamino]cyclopentane-1-carboxamide
CID 119044598
N-ethyl-2-[1-[4-(trifluoromethyl)phenyl]ethylamino]acetamide
CID 43566828
N-(3-morpholin-4-yl-3-oxopropyl)-3-[4-(trifluoromethyl)phenyl]butanamide
CID 51125754
N-(2-amino-2-phenylethyl)-3-[4-(trifluoromethyl)phenyl]butanamide
CID 119528728
methyl 4-methyl-2-[3-[4-(trifluoromethyl)phenyl]butanoylamino]pentanoate
CID 60584177
N-[2-(aminomethyl)cyclopentyl]-3-[4-(trifluoromethyl)phenyl]butanamide
CID 119603353

Frequently Asked Questions

What is the IUPAC name of N-ethyl-1-[[(3R)-3-[4-(trifluoromethyl)phenyl]butanoyl]amino]cyclopentane-1-carboxamide?
The IUPAC name of N-ethyl-1-[[(3R)-3-[4-(trifluoromethyl)phenyl]butanoyl]amino]cyclopentane-1-carboxamide (CID 124742880) is N-ethyl-1-[[(3R)-3-[4-(trifluoromethyl)phenyl]butanoyl]amino]cyclopentane-1-carboxamide.
What is the SMILES notation for N-ethyl-1-[[(3R)-3-[4-(trifluoromethyl)phenyl]butanoyl]amino]cyclopentane-1-carboxamide?
The canonical SMILES for N-ethyl-1-[[(3R)-3-[4-(trifluoromethyl)phenyl]butanoyl]amino]cyclopentane-1-carboxamide is CCNC(=O)C1(NC(=O)C[C@@H](C)c2ccc(C(F)(F)F)cc2)CCCC1.
What is the InChIKey of N-ethyl-1-[[(3R)-3-[4-(trifluoromethyl)phenyl]butanoyl]amino]cyclopentane-1-carboxamide?
The InChIKey is YIQSHGROSGHCJP-CYBMUJFWSA-N. The full InChI is InChI=1S/C19H25F3N2O2/c1-3-23-17(26)18(10-4-5-11-18)24-16(25)12-13(2)14-6-8-15(9-7-14)19(20,21)22/h6-9,13H,3-5,10-12H2,1-2H3,(H,23,26)(H,24,25)/t13-/m1/s1.
What are the key properties of N-ethyl-1-[[(3R)-3-[4-(trifluoromethyl)phenyl]butanoyl]amino]cyclopentane-1-carboxamide?
N-ethyl-1-[[(3R)-3-[4-(trifluoromethyl)phenyl]butanoyl]amino]cyclopentane-1-carboxamide has a molecular weight of 370.42 g/mol, XLogP of 3.76, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-1-[[(3R)-3-[4-(trifluoromethyl)phenyl]butanoyl]amino]cyclopentane-1-carboxamide is sourced from PubChem (CID 124742880), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).