N-[(2S)-2-[cyclobutanecarbonyl(methyl)amino]-2-(4-fluorophenyl)ethyl]cyclobutanecarboxamide

C19H25FN2O2 — CID 95778239

IUPACN-[(2S)-2-[cyclobutanecarbonyl(methyl)amino]-2-(4-fluorophenyl)ethyl]cyclobutanecarboxamide
SMILESCN(C(=O)C1CCC1)[C@H](CNC(=O)C1CCC1)c1ccc(F)cc1
InChIInChI=1S/C19H25FN2O2/c1-22(19(24)15-6-3-7-15)17(13-8-10-16(20)11-9-13)12-21-18(23)14-4-2-5-14/h8-11,14-15,17H,2-7,12H2,1H3,(H,21,23)/t17-/m1/s1
InChIKeyRDTDNUHLUZWRHB-QGZVFWFLSA-N
MW332.42 g/mol
LogP3.04
Rot. Bonds6

About N-[(2S)-2-[cyclobutanecarbonyl(methyl)amino]-2-(4-fluorophenyl)ethyl]cyclobutanecarboxamide

N-[(2S)-2-[cyclobutanecarbonyl(methyl)amino]-2-(4-fluorophenyl)ethyl]cyclobutanecarboxamide (PubChem CID 95778239) has the molecular formula C19H25FN2O2 and a molecular weight of 332.42 g/mol. Its IUPAC name is N-[(2S)-2-[cyclobutanecarbonyl(methyl)amino]-2-(4-fluorophenyl)ethyl]cyclobutanecarboxamide.

Molecular Properties

Compound NameN-[(2S)-2-[cyclobutanecarbonyl(methyl)amino]-2-(4-fluorophenyl)ethyl]cyclobutanecarboxamide
PubChem CID95778239
Molecular FormulaC19H25FN2O2
Molecular Weight332.42 g/mol
Exact Mass332.19
IUPAC NameN-[(2S)-2-[cyclobutanecarbonyl(methyl)amino]-2-(4-fluorophenyl)ethyl]cyclobutanecarboxamide
SMILESCN(C(=O)C1CCC1)[C@H](CNC(=O)C1CCC1)c1ccc(F)cc1
InChIInChI=1S/C19H25FN2O2/c1-22(19(24)15-6-3-7-15)17(13-8-10-16(20)11-9-13)12-21-18(23)14-4-2-5-14/h8-11,14-15,17H,2-7,12H2,1H3,(H,21,23)/t17-/m1/s1
InChIKeyRDTDNUHLUZWRHB-QGZVFWFLSA-N
XLogP3.04
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.42
LogP ≤ 53.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[(2R)-2-(diethylamino)-2-phenylethyl]cyclobutanecarboxamide
CID 51922888
N-[2-(dimethylamino)-2-(4-methoxyphenyl)ethyl]cyclohexanecarboxamide
CID 17447079
N-[(2R)-2-(2,6-difluorophenyl)-2-(dimethylamino)ethyl]cyclobutanecarboxamide
CID 95345765
N-[2-(dimethylamino)-2-(3-fluorophenyl)ethyl]cyclopentanecarboxamide
CID 43020482
N-[2-(dimethylamino)-2-phenylethyl]cyclohexanecarboxamide
CID 45001445
N-[2-(dimethylamino)-2-(4-ethylphenyl)ethyl]cyclohexanecarboxamide
CID 46529103
N-[(2S)-2-(dimethylamino)-2-(4-methoxyphenyl)ethyl]-1-(4-fluorophenyl)sulfonylpiperidine-4-carboxamide
CID 25409009
N-[(2R)-2-(4-fluorophenyl)-2-piperidin-1-ylethyl]cyclopentanecarboxamide
CID 124728232
N-[2-(dimethylamino)-2-phenylethyl]-1-(4-fluorobenzoyl)piperidine-4-carboxamide
CID 51153656
N-[2-(4-fluorophenyl)-2-thiophen-2-ylsulfonylethyl]cyclopentanecarboxamide
CID 110406562
3-amino-N-[2-(dimethylamino)-2-phenylethyl]cyclohexane-1-carboxamide
CID 63046098
3-amino-N-[2-(dimethylamino)-2-phenylethyl]cyclohexane-1-carboxamide;dihydrochloride
CID 119828747

Frequently Asked Questions

What is the IUPAC name of N-[(2S)-2-[cyclobutanecarbonyl(methyl)amino]-2-(4-fluorophenyl)ethyl]cyclobutanecarboxamide?
The IUPAC name of N-[(2S)-2-[cyclobutanecarbonyl(methyl)amino]-2-(4-fluorophenyl)ethyl]cyclobutanecarboxamide (CID 95778239) is N-[(2S)-2-[cyclobutanecarbonyl(methyl)amino]-2-(4-fluorophenyl)ethyl]cyclobutanecarboxamide.
What is the SMILES notation for N-[(2S)-2-[cyclobutanecarbonyl(methyl)amino]-2-(4-fluorophenyl)ethyl]cyclobutanecarboxamide?
The canonical SMILES for N-[(2S)-2-[cyclobutanecarbonyl(methyl)amino]-2-(4-fluorophenyl)ethyl]cyclobutanecarboxamide is CN(C(=O)C1CCC1)[C@H](CNC(=O)C1CCC1)c1ccc(F)cc1.
What is the InChIKey of N-[(2S)-2-[cyclobutanecarbonyl(methyl)amino]-2-(4-fluorophenyl)ethyl]cyclobutanecarboxamide?
The InChIKey is RDTDNUHLUZWRHB-QGZVFWFLSA-N. The full InChI is InChI=1S/C19H25FN2O2/c1-22(19(24)15-6-3-7-15)17(13-8-10-16(20)11-9-13)12-21-18(23)14-4-2-5-14/h8-11,14-15,17H,2-7,12H2,1H3,(H,21,23)/t17-/m1/s1.
What are the key properties of N-[(2S)-2-[cyclobutanecarbonyl(methyl)amino]-2-(4-fluorophenyl)ethyl]cyclobutanecarboxamide?
N-[(2S)-2-[cyclobutanecarbonyl(methyl)amino]-2-(4-fluorophenyl)ethyl]cyclobutanecarboxamide has a molecular weight of 332.42 g/mol, XLogP of 3.04, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2S)-2-[cyclobutanecarbonyl(methyl)amino]-2-(4-fluorophenyl)ethyl]cyclobutanecarboxamide is sourced from PubChem (CID 95778239), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).